5UUZ
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200
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 | CCD |
Collection date | 2014-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.008 |
Spacegroup name | P 1 |
Unit cell lengths | 82.818, 89.887, 104.620 |
Unit cell angles | 99.27, 89.94, 96.15 |
Refinement procedure
Resolution | 40.754 - 2.496 |
R-factor | 0.2243 |
Rwork | 0.223 |
R-free | 0.25490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mjm |
RMSD bond length | 0.004 |
RMSD bond angle | 0.806 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 100703 | 4916 |
<I/σ(I)> | 10.2 | 1.1 |
Completeness [%] | 98.3 | 97.7 |
Redundancy | 2.1 | 2 |
CC(1/2) | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M Magnesium formate, 15 % (w/v) PEG3350 |