2P18
Crystal structure of the Leishmania infantum glyoxalase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.705, 88.989, 85.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.380 - 1.800 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qh3 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.519 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.376 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.069 | 0.468 |
Total number of observations | 20168 | |
Number of reflections | 23962 | |
<I/σ(I)> | 6.5 | 1.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 30% PEG 4K, 0.2M MgCl2, 0.1M Ammonium Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |