3E2Z

Crystal structure of mouse kynurenine aminotransferase III in complex with kynurenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 43 21 2
Unit cell lengths	91.490, 91.490, 233.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.810
R-factor	0.19394
Rwork	0.192
R-free	0.23654
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zjg
RMSD bond length	0.024
RMSD bond angle	2.205
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.120	0.390
Number of reflections	24119
Completeness [%]	95.6
Redundancy	11.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	21% PEG 400, 150 mM CaCl2, 10% Glycerol, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K