2QF5 | pdb_00002qf5

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2QF4	PDB entry 2QF4

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.1M Sodium acetate pH 4.6, 0.2M Ammonium sulfate, 12.5% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystal Properties
Matthews coefficient	Solvent content
2.38	48.25

Symmetry
Space Group	C 1 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	MAR scanner 300 mm plate		2006-06-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU MICROMAX-007 HF	1.5418

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.23	23.83	90.3	0.03	0.03	18.3	5.2		7873

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.23	2.33	76.4		0.123	0.123	6	5.1	966

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB entry 2QF4	2.23	23.83	7870	365	92.72	0.197	0.194	0.2	0.268	0.27	RANDOM	20.21

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
2.9		-1.19	-1.76		-2.16

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	38.843
r_dihedral_angle_4_deg	22.352
r_dihedral_angle_3_deg	15.396
r_dihedral_angle_1_deg	6.329
r_scangle_it	2.393
r_scbond_it	1.541
r_angle_refined_deg	1.376
r_angle_other_deg	0.882
r_mcangle_it	0.867
r_mcbond_it	0.688

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	38.843
r_dihedral_angle_4_deg	22.352
r_dihedral_angle_3_deg	15.396
r_dihedral_angle_1_deg	6.329
r_scangle_it	2.393
r_scbond_it	1.541
r_angle_refined_deg	1.376
r_angle_other_deg	0.882
r_mcangle_it	0.867
r_mcbond_it	0.688
r_symmetry_vdw_other	0.254
r_nbd_refined	0.195
r_symmetry_hbond_refined	0.195
r_nbd_other	0.19
r_nbtor_refined	0.163
r_xyhbond_nbd_refined	0.155
r_symmetry_vdw_refined	0.145
r_mcbond_other	0.124
r_nbtor_other	0.086
r_chiral_restr	0.075
r_bond_refined_d	0.012
r_gen_planes_refined	0.004
r_bond_other_d	0.001
r_gen_planes_other	0.001

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	1161
Nucleic Acid Atoms
Solvent Atoms	74
Heterogen Atoms

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left: 4px; } 2QF5 | pdb_00002qf5