2BOG
Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-14 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.041, 66.537, 81.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.820 - 1.040 |
R-factor | 0.15 |
Rwork | 0.149 |
R-free | 0.16500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tml |
RMSD bond length | 0.010 |
RMSD bond angle | 1.479 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.800 | 1.100 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.110 | 0.370 |
Number of reflections | 104597 | |
<I/σ(I)> | 17.2 | 4.5 |
Completeness [%] | 93.9 | 91 |
Redundancy | 8.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20-30% POLYETHYLENGLYCOL 4000 AND 0.15-0.34 M SODIUM MALONATE, PH 4.0 |