4WBJ
Crystal structure of Bradyrhizobium japonicum ScoI in the oxidized state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2014-08-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.776, 82.629, 45.853 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 45.800 - 1.300 |
R-factor | 0.106 |
Rwork | 0.104 |
R-free | 0.14180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4txo |
RMSD bond length | 0.022 |
RMSD bond angle | 2.051 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.800 | 1.330 | |
High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
Rmerge | 0.039 | 0.026 | 0.151 |
Rmeas | 0.042 | 0.028 | 0.163 |
Total number of observations | 460789 | ||
Number of reflections | 65098 | 802 | 4381 |
<I/σ(I)> | 28.35 | 67.45 | 9.94 |
Completeness [%] | 91.9 | 96.9 | 83.6 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1M SPG, 25% PEG15000 |