4UWT
Hypocrea jecorina Cel7A E212Q mutant in complex with p-nitrophenyl cellobioside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-30 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 83.301, 81.783, 110.526 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.190 - 1.200 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.15900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cel |
RMSD bond length | 0.006 |
RMSD bond angle | 1.284 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC (5) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.200 | 1.250 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.090 | 0.530 |
Number of reflections | 130094 | |
<I/σ(I)> | 15 | 3.2 |
Completeness [%] | 98.1 | 87.2 |
Redundancy | 7.2 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M NA-MES (PH 6.0), 21% MONOMETHYL ETHER PEG 5000, 0.005 M COCL2, 12% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |