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 |
