4AVO
Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D274A cocrystallized with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.680, 92.210, 49.620 |
Unit cell angles | 90.00, 111.92, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.15644 |
Rwork | 0.155 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED WILD TYPE CEL6B |
RMSD bond length | 0.007 |
RMSD bond angle | 1.116 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.100 | 1.900 |
High resolution limit [Å] | 1.750 | 1.800 |
Rmerge | 0.100 | 0.300 |
Number of reflections | 32986 | |
<I/σ(I)> | 10.7 | 4.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 20% PEG 6000, 0.1 M CACL2, 0.1 M SODIUM ACETATE PH 4, ABOUT 10MM CELLOBIOSE. |