5C8D
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-11-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 78.740, 79.720, 118.450 |
Unit cell angles | 90.73, 96.61, 117.29 |
Refinement procedure
Resolution | 70.650 - 2.800 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | two starting models were used for MR. One model contained residues 80-270 of CarH determined by Co-SAD. |
RMSD bond length | 0.005 |
RMSD bond angle | 0.921 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 59284 | |
<I/σ(I)> | 12 | 2 |
Completeness [%] | 94.9 | 95.5 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 3350, 0.1 M ammonium citrate tribasic pH 7 |