6SL4
The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-07 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 77.990, 77.990, 288.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.540 - 1.800 |
R-factor | 0.2105 |
Rwork | 0.208 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.707 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.541 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 46318 | 2494 |
<I/σ(I)> | 17.7 | 1.3 |
Completeness [%] | 99.0 | |
Redundancy | 5.9 | |
CC(1/2) | 0.999 | 0.398 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1M Hepes buffer ph7.5, 4.3M sodium cloride |