3VW9
Human Glyoxalase I with an N-hydroxypyridone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-27 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.990, 66.980, 68.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.520 - 1.470 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qin |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.4) |
Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.089 | 30.089 | 1.510 |
High resolution limit [Å] | 1.470 | 6.590 | 1.470 |
Rmerge | 0.047 | 0.280 | |
Rmeas | 0.052 | 0.380 | |
Rpim | 0.020 | 0.254 | |
Total number of observations | 5206 | 1801 | |
Number of reflections | 60224 | ||
<I/σ(I)> | 17.1 | 30.4 | 2.3 |
Completeness [%] | 89.3 | 97.6 | 22.5 |
Redundancy | 5.8 | 6.2 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25%(w/v) PEG 2000 MME, 10%(v/v) Glycerol, 0.1M Na-HEPES (pH 7.0), vapor diffusion, hanging drop, temperature 293K |