5COF
Crystal structure of Uncharacterised protein Q1R1X2 from Escherichia coli UTI89
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.860, 48.160, 80.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.350 |
| R-factor | 0.11632 |
| Rwork | 0.115 |
| R-free | 0.13846 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.496 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.340 | 1.385 |
| High resolution limit [Å] | 1.260 | 1.350 |
| Rmerge | 0.140 | 0.462 |
| Number of reflections | 38126 | |
| <I/σ(I)> | 13 | 2.5 |
| Completeness [%] | 98.9 | 89.4 |
| Redundancy | 13.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 60 mM Magnesium chloride hexahydrate, 60 mM Calcium chloride dihydrate, 0.1 M imidazole, 0.1 M MES monohydrate, pH 6.5, 12.5% MPD, 12.5 % PEG 1000, 12.5% PEG 3350 |
