6GJV
apo-structure of IMPDH from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91165 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 115.304, 194.639, 122.924 |
| Unit cell angles | 90.00, 117.75, 90.00 |
Refinement procedure
| Resolution | 44.631 - 2.110 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dqw |
| Data reduction software | XDS (September 26, 2012) |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.352 | 49.352 | 2.220 |
| High resolution limit [Å] | 2.110 | 6.670 | 2.110 |
| Rmerge | 0.025 | 0.496 | |
| Rmeas | 0.081 | 0.035 | 0.678 |
| Rpim | 0.044 | 0.019 | 0.385 |
| Total number of observations | 941570 | ||
| Number of reflections | 274340 | 8831 | 39993 |
| <I/σ(I)> | 11.8 | 14.7 | 1.5 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 3.4 | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | ithium chloride 500 mM, ammonium sulphate 50 mM and PEG8000 8% |
