4ZQO
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor Q67
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 | 2015-04-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97899 |
Spacegroup name | I 4 |
Unit cell lengths | 88.252, 88.252, 84.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.473 - 1.760 |
R-factor | 0.154 |
Rwork | 0.153 |
R-free | 0.17900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.169 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (dev_1621) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.644 | |
Number of reflections | 31906 | |
<I/σ(I)> | 10.6 | 2 |
Completeness [%] | 99.7 | 97.5 |
Redundancy | 4.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.1 M Na/K phosphate pH 6.2, 25 %(v/v) 1,2 propandiol, 10 %(v/v) glycerol |