6LKD
in meso full-length rat KMO in complex with a pyrazoyl benzoic acid inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.970, 63.430, 152.420 |
Unit cell angles | 90.00, 113.52, 90.00 |
Refinement procedure
Resolution | 49.250 - 3.000 |
R-factor | 0.2218 |
Rwork | 0.220 |
R-free | 0.26150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j33 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.741 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.990 | 7.010 |
Number of reflections | 28641 | 1127 |
<I/σ(I)> | 8.77 | 1.2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 22.8 | 22.7 |
CC(1/2) | 0.957 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 0.04 M Tris-Cl pH 7.0, 0.06 M Bis-Tris pH 6.5, 0.3-0.51 M lithium sulfate, and 34-45 % PEG400 |