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 |