5C8E
Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment
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 21 21 2 |
Unit cell lengths | 177.940, 141.820, 162.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.638 - 3.890 |
R-factor | 0.2505 |
Rwork | 0.250 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3 different models were used for MR: residues 83-270 of PDB ID 5C8A; residues 6-75 of PDB ID 5C8F and a model of a 26-bp DNA segment with ideal geometry generated using 3D-DART |
RMSD bond length | 0.005 |
RMSD bond angle | 0.789 |
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 | 3.990 |
High resolution limit [Å] | 3.890 | 3.890 |
Number of reflections | 38480 | |
<I/σ(I)> | 15.7 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.2 | 12.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 16% PEG 3350, 0.2 M L-Proline, 0.1 M HEPES pH 7.5 |