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 |
