Experiment: 1LIL

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1DCL

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7		1.8 M AMMONIUM SULFATE PH 7.0

Crystal Properties
Matthews coefficient	Solvent content
2.16	43

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	293	AREA DETECTOR	XUONG-HAMLIN MULTIWIRE		1989-01-03	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
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	2.65		92	0.047				11373		2

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	2.65	10	2	8684		71	0.2	0.19	0.34	RANDOM	15.5

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
p_transverse_tor	29.7
p_staggered_tor	24.6
p_planar_tor	2.3
p_multtor_nbd	0.31
p_xyhbond_nbd	0.28
p_singtor_nbd	0.21
p_chiral_restr	0.169
p_planar_d	0.047
p_angle_d	0.039
p_bond_d	0.014

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	29.7
p_staggered_tor	24.6
p_planar_tor	2.3
p_multtor_nbd	0.31
p_xyhbond_nbd	0.28
p_singtor_nbd	0.21
p_chiral_restr	0.169
p_planar_d	0.047
p_angle_d	0.039
p_bond_d	0.014
p_plane_restr	0.013
p_angle_deg
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	3190
Nucleic Acid Atoms
Solvent Atoms	123
Heterogen Atoms