3E9K

Crystal structure of Homo sapiens kynureninase-3-hydroxyhippuric acid inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.007
Spacegroup name	C 1 2 1
Unit cell lengths	74.444, 77.124, 94.558
Unit cell angles	90.00, 109.35, 90.00

Refinement procedure

Resolution	89.090 - 1.700
R-factor	0.15512
Rwork	0.153
R-free	0.19133
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hzp
RMSD bond length	0.008
RMSD bond angle	1.065
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.090	1.744
High resolution limit [Å]	1.700	1.700
Number of reflections	51906
Completeness [%]	98.5	86.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	5.12	298	HKynase solution (9 mg/mL in 50 mM HEPES pH 5.1, and 0.1 mM PLP) mixed (1:1 ratio) with a crystallization solution containing 0.05 M MgCl2, 0.1 M Tris-HCl pH 8.0, 25% PEG 3000, 350 mM HHA, pH 5.12, MICROBATCH UNDER OIL, temperature 298K