4MYA
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor A110
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 | 2012-04-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97921 |
Spacegroup name | P 4 |
Unit cell lengths | 110.852, 110.852, 56.258 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.575 - 1.900 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBID ENTRY 3TSD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.216 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 53268 | |
<I/σ(I)> | 7.5 | 1.7 |
Completeness [%] | 98.3 | 81.6 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 289 | 0.1 M Ches pH 9.5, 10% w/v PEG3000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |