4V20
The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus, disaccharide complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 120 |
Collection date | 2011-08-10 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.560, 130.780, 46.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.490 - 1.500 |
R-factor | 0.13334 |
Rwork | 0.132 |
R-free | 0.15829 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4v1z |
RMSD bond length | 0.015 |
RMSD bond angle | 1.702 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.490 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.060 | 0.620 |
Number of reflections | 73170 | |
<I/σ(I)> | 19.8 | 2.9 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20% PEG6K, 10 MM ZNCL2, MES PH 6.0, SEEDING OF LIGAND COMPLEX DROPS WITH NATIVE SEEDS |