Experiment: 1YZV

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	0.4 ul protein 19 mg/ml 0.4 ul crystallization buffer 20% PEG 4000, 100 mM CaCl2, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K

Crystal Properties
Matthews coefficient	Solvent content
3.28	62.52

Symmetry
Space Group	P 4 3 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM 210		2004-11-07	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 5.0.1	1.00000	ALS	5.0.1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	18.47	99	0.183	12	9.9		21028			18.02

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	2.001	18.47	20998	1056	99.413	0.1568	0.17	0.1868	0.2	25.918

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]

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.132
r_dihedral_angle_3_deg	13.038
r_dihedral_angle_4_deg	11.867
r_scangle_it	6.799
r_dihedral_angle_1_deg	6.201
r_scbond_it	5.332
r_scangle_other	3.34
r_mcangle_it	2.976
r_mcbond_it	2.635
r_scbond_other	1.799

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	35.132
r_dihedral_angle_3_deg	13.038
r_dihedral_angle_4_deg	11.867
r_scangle_it	6.799
r_dihedral_angle_1_deg	6.201
r_scbond_it	5.332
r_scangle_other	3.34
r_mcangle_it	2.976
r_mcbond_it	2.635
r_scbond_other	1.799
r_angle_refined_deg	1.617
r_mcangle_other	1.33
r_angle_other_deg	0.913
r_mcbond_other	0.703
r_symmetry_vdw_other	0.24
r_symmetry_vdw_refined	0.218
r_nbd_refined	0.217
r_nbtor_refined	0.176
r_nbd_other	0.175
r_xyhbond_nbd_refined	0.175
r_symmetry_hbond_refined	0.158
r_chiral_restr	0.104
r_nbtor_other	0.085
r_bond_refined_d	0.019
r_gen_planes_refined	0.016
r_gen_planes_other	0.003
r_bond_other_d	0.001