6L0U
Crystal structure of mouse glyoxalase I complexed with a small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-05-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.785, 64.635, 65.794 |
Unit cell angles | 90.00, 101.58, 90.00 |
Refinement procedure
Resolution | 23.160 - 1.950 |
R-factor | 0.1989 |
Rwork | 0.197 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2za0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.247 |
Data scaling software | HKL-3000 |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.067 | 0.041 | 0.572 |
Rmeas | 0.073 | 0.044 | 0.624 |
Rpim | 0.028 | 0.017 | 0.246 |
Total number of observations | 167399 | ||
Number of reflections | 25098 | 2580 | 2507 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 6.7 | 6.5 | 6.2 |
CC(1/2) | 0.999 | 0.864 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.1 M MES pH 6.0, 12% (w/v) PEG2000, 16% v/v 2-Propanol |