1PVN
The crystal structure of the complex between IMP dehydrogenase catalytic domain and a transition state analogue MZP
Replaces: 1MWFExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.754, 112.566, 159.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 * - 2.000 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Tetramer of IMP dehydrogenase PDB entry 1LRT |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.280 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.069 | 0.181 |
Total number of observations | 1775920 * | |
Number of reflections | 113342 * | |
<I/σ(I)> | 22 | 7.8 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | PEG 10,000, MES, Glycerol, KCl, Tris, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.0 (mg/ml) | |
10 | 1 | reservoir | dithiothreitol | 1 (mM) | |
2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
3 | 1 | drop | glycerol | 5 (%) | |
4 | 1 | drop | MZP | 0.6 (mM) | |
5 | 1 | drop | dithiothreitol | 1 (mM) | |
6 | 1 | reservoir | PEG10000 | 10 (%) | |
7 | 1 | reservoir | MES | 100 (mM) | pH6.25 |
8 | 1 | reservoir | 120 (mM) | ||
9 | 1 | reservoir | glycerol | 20 (%) |