5NFL
Crystal structure of YrbA from Sinorhizobium meliloti in complex with cobalt.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979760 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 30.802, 31.944, 62.741 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.370 - 1.903 |
R-factor | 0.1335 |
Rwork | 0.133 |
R-free | 0.14990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nfk |
RMSD bond length | 0.012 |
RMSD bond angle | 1.288 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.940 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.142 | 0.447 |
Rmeas | 0.153 | 0.487 |
Rpim | 0.054 | 0.186 |
Number of reflections | 5140 | |
<I/σ(I)> | 15 | 5.7 |
Completeness [%] | 98.4 | 89.3 |
Redundancy | 7.5 | 6.3 |
CC(1/2) | 0.995 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 277 | 1.0 M lithium sulfate 0.01 M cobalt chloride 0.1 M Tris-HCl, pH 8.5 |