1OX4
TOWARDS UNDERSTANDING THE MECHANISM OF THE COMPLEX CYCLIZATION REACTION CATALYZED BY IMIDAZOLE GLYCEROPHOSPHATE SYNTHASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.500, 112.000, 115.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.2281 |
Rwork | 0.228 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jvn |
RMSD bond length | 0.006 |
RMSD bond angle | 1.260 * |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.098 | 0.330 |
Number of reflections | 45173 | |
<I/σ(I)> | 16.7 | 3 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.5 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 20 * | Chaudhuri, B.N., (2001) Structure, 9, 987. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
3 | 1 | reservoir | PEG5000 MME | 22-28 (%) | |
4 | 1 | reservoir | MES | 0.1 (M) | pH6.5-7.0 |