6XX1
The unique CBM3-Clocl_1192 of Hungateiclostridium clariflavum
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-07 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.090, 157.740, 46.560 |
Unit cell angles | 90.00, 94.41, 90.00 |
Refinement procedure
Resolution | 78.870 - 1.610 |
R-factor | 0.1841 |
Rwork | 0.183 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sl4 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.805 |
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] | 78.870 | 1.670 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 85011 | 4251 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 99.2 | |
Redundancy | 3.7 | |
CC(1/2) | 0.996 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M sodium formate, 20% PEG 3350 |