4V1Z
The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Collection date | 2011-07-11 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.230, 131.390, 45.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.850 - 1.780 |
| R-factor | 0.14632 |
| Rwork | 0.144 |
| R-free | 0.18895 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q9h |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.792 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.690 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.100 | 0.680 |
| Number of reflections | 44036 | |
| <I/σ(I)> | 10.7 | 2.9 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 5.9 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PACT B12 20% PEG6K, 10 MM ZNCL2, MES PH 6.0, OPTIMIZED MANUALLY |
