4V0Z
o-nitrophenyl Cellobioside as an Active Site Probe for Family 7 Cellobiohydrolases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-10 |
Detector | ADSC CCD |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 83.063, 81.375, 109.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.940 - 1.700 |
R-factor | 0.1305 |
Rwork | 0.129 |
R-free | 0.15664 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uwt |
RMSD bond length | 0.008 |
RMSD bond angle | 1.317 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.060 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.260 |
Number of reflections | 40566 | |
<I/σ(I)> | 26.6 | 5.8 |
Completeness [%] | 97.9 | 67.6 |
Redundancy | 6.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.1 M NAMES (PH 7.0), 25% M5K, 12.5% GLYCEROL AND 10 MM COCL2 |