4QQ3
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP
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 | 2014-05-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 106.900, 106.900, 65.489 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.600 - 1.720 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qne |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.695 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.600 | 50.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 4.670 | 1.720 |
| Rmerge | 0.066 | 0.035 | 0.499 |
| Number of reflections | 40250 | ||
| <I/σ(I)> | 12.2 | 2.1 | |
| Completeness [%] | 98.4 | 99 | 82.5 |
| Redundancy | 12.1 | 12.4 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 10% PEG 2000, 19.3% PEG 200, 0.05 M Tris-buffer, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
