5OA5
CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.940, 92.100, 102.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.160 - 2.100 |
| R-factor | 0.20154 |
| Rwork | 0.199 |
| R-free | 0.24381 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v3i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.309 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.160 | 2.210 |
| High resolution limit [Å] | 1.990 | 2.100 |
| Rmerge | 0.130 | 0.410 |
| Number of reflections | 56990 | |
| <I/σ(I)> | 4.9 | 1.86 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.71 | 3.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 25.5% POLYETHYLENE GLYCOL (PEG) 4000, 0.17 M AMSO4 AND 15% GLYCEROL |
