6GRN
CELLOBIOHYDROLASE I (CEL7A) FROM Trichoderma reesei with S-dihydroxypropranolol in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.115 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.109, 83.318, 110.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.310 - 1.790 |
| R-factor | 0.14745 |
| Rwork | 0.145 |
| R-free | 0.18795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1egn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.426 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.400 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.057 | 0.120 |
| Rmeas | 0.060 | 0.140 |
| Number of reflections | 34736 | 4455 |
| <I/σ(I)> | 8.7 | 5.8 |
| Completeness [%] | 94.1 | 83.1 |
| Redundancy | 5.2 | 4.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 18% mPEG 5000, 10 mM sodium acetate (ph 5.0), 14% glycerol, 11 mM cobalt chloride |
