1OCN
Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-15 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.357, 69.842, 51.950 |
Unit cell angles | 90.00, 113.52, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.310 |
R-factor | 0.132 |
Rwork | 0.130 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bvw |
RMSD bond length | 0.016 |
RMSD bond angle | 1.686 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.330 |
High resolution limit [Å] | 1.310 | 1.310 |
Rmerge | 0.060 | 0.275 |
Number of reflections | 77018 | |
<I/σ(I)> | 17.9 | 7.6 |
Completeness [%] | 91.7 | 100 |
Redundancy | 6.2 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PROTEIN WAS CONCENTRATED TO 10MG/ML IN WATER.CRYSTALLISATION IN 200MM CALCIUM ACETATE, 100MM HEPES PH 7.5 AND 21% POLYETHYLENE GLYCOL 5KMME.20 % GLYCEROL WAS ADDED FOR CRYOPROTECTION |