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 |