4QNV
Crystal structure of Cx-SAM bound CmoB from E. coli in P6122
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.134, 82.134, 432.516 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.080 - 2.640 |
R-factor | 0.22086 |
Rwork | 0.218 |
R-free | 0.26947 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.536 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.144 | 0.993 |
Number of reflections | 26722 | |
<I/σ(I)> | 15.5 | 4 |
Completeness [%] | 99.2 | 100 |
Redundancy | 8.5 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES:NaOH pH 7.5, 0.2M MgCl2, 30% (v/v) PEG400, 10mM TCEP:HCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K |