3E7D
Crystal Structure of Precorrin-8X Methyl Mutase CbiC/CobH from Brucella melitensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.724, 68.927, 103.196 |
Unit cell angles | 90.00, 95.88, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.234 |
Rwork | 0.232 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f2v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.318 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.136 | 0.501 |
Number of reflections | 67776 | |
<I/σ(I)> | 21.7 | 2.2 |
Completeness [%] | 91.7 | 86.8 |
Redundancy | 3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG+ condition A2, 20% PEG3000, 0.1 M Na citrate pH 5.5, 0.4/0.4 uL drops, Crystal ID 10993a2, 20 mg/mL protein in 20 mM HEPES pH 7.0, 0.3 M NaCl, 5% glycerol, 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 289K |