2XSP
Structure of Cellobiohydrolase 1 (Cel7A) from Heterobasidion annosum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-01 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.797, 49.512, 73.500 |
| Unit cell angles | 90.00, 118.90, 90.00 |
Refinement procedure
| Resolution | 28.970 - 1.700 |
| R-factor | 0.1513 |
| Rwork | 0.150 |
| R-free | 0.17729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z3v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.420 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CCP4I |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 1.790 |
| High resolution limit [Å] | 1.600 | 1.700 |
| Rmerge | 0.080 | 0.330 |
| Number of reflections | 45525 | |
| <I/σ(I)> | 8.66 | 2.25 |
| Completeness [%] | 97.3 | 96.1 |
| Redundancy | 6.47 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.7 | PROTEIN WAS CRYSTALLIZED FROM 20 MM MGCL2, 0.1 M HEPES PH 7.7, 20% POLYETHYLENE GLYCOL 3350, THEN SOAKED IN1 MM THIO-XYLOPENTAOSIDE LIGAND SOLUTION. |
