5UPY
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria Monocytogenes in the complex with IMP and Q21
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 | 2013-12-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97921 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 174.165, 174.165, 174.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.541 - 2.350 |
R-factor | 0.1659 |
Rwork | 0.164 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4my8 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.708 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((dev_2411: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.155 | |
Number of reflections | 19178 | 939 |
<I/σ(I)> | 12.7 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.7 | 4.4 |
CC(1/2) | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M HEPES pH 7.0, 10% (w/v) PEG 6000 |