1BZY

HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	52.960, 102.010, 144.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.19
Rwork	0.190
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbr
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.045 *	0.200 *
Total number of observations	232173 *
Number of reflections	44301
<I/σ(I)>	13.6	8.3
Completeness [%]	84.0	81
Redundancy	1.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6	18 *	drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13-15 (mg/ml)
2	1	reservoir	sodium acetate	100 (mM)
3	1	reservoir	mPEG2000	20 (%)