7JVE
Crystal structure of Salmonella enterica Typhimurium BcfH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.012, 133.731, 146.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.650 - 2.310 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.20850 |
Structure solution method | MAD |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.072 | 0.034 | 0.585 |
Rmeas | 0.077 | 0.036 | 0.638 |
Rpim | 0.025 | 0.010 | 0.245 |
Total number of observations | 763336 | ||
Number of reflections | 88024 | 4737 | 4177 |
<I/σ(I)> | 13 | ||
Completeness [%] | 99.1 | 99.6 | 94.7 |
Redundancy | 8.7 | 11.3 | 6.3 |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 0.2 M MgCl2, 0.1 mM Bis Tris propane, pH 6.0, 20% PEG 3350 |