7F2Y
Crystal structure of OxdB E85A mutant (form I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.90000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.306, 63.774, 59.246 |
Unit cell angles | 90.00, 94.22, 90.00 |
Refinement procedure
Resolution | 36.060 - 1.550 |
R-factor | 0.17455 |
Rwork | 0.172 |
R-free | 0.19896 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a15 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.844 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.060 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.032 | 0.518 |
Rmeas | 0.038 | 0.615 |
Rpim | 0.020 | 0.328 |
Number of reflections | 51535 | 5040 |
<I/σ(I)> | 19.1 | 2.06 |
Completeness [%] | 99.3 | 97.64 |
Redundancy | 3.4 | 3.5 |
CC(1/2) | 0.999 | 0.733 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30 % (w/v) polyethylene glycol 4,000, 0.1 M Tris pH8.5, and 0.2 M magnesium chloride |