2BOE
Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca
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 | 43.043, 66.188, 81.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.070 - 1.150 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tml |
RMSD bond length | 0.010 |
RMSD bond angle | 1.369 |
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] | 38.100 | 1.160 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.060 | 0.350 |
Number of reflections | 82912 | |
<I/σ(I)> | 18.7 | 4.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20-30% POLYETHYLENGLYCOL 4000 AND 0.15-0.34 M SODIUM MALONATE, PH 4.0 |