6BEJ
Crystal structure of manganese superoxide dismutase from Xanthomonas citri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-12-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.670, 72.466, 87.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.982 - 1.894 |
R-factor | 0.2052 |
Rwork | 0.203 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rcv |
RMSD bond length | 0.004 |
RMSD bond angle | 0.688 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.982 | 27.982 | 2.010 |
High resolution limit [Å] | 1.890 | 5.580 | 1.890 |
Rmerge | 0.056 | 0.027 | 0.453 |
Rmeas | 0.062 | 0.030 | 0.500 |
Number of reflections | 30880 | 1309 | 4727 |
<I/σ(I)> | 17.75 | 44.39 | 3.57 |
Completeness [%] | 98.3 | 97.3 | 95.2 |
Redundancy | 5.601 | 5.336 | 5.351 |
CC(1/2) | 0.999 | 0.999 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 291 | 0.1 M Bis Tris pH 6.1, 25% PEG 3350 |