4AX6
HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE
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 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 |
Unit cell lengths | 49.540, 52.960, 66.540 |
Unit cell angles | 77.33, 78.60, 75.66 |
Refinement procedure
Resolution | 64.170 - 2.300 |
R-factor | 0.20643 |
Rwork | 0.204 |
R-free | 0.25448 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hgy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.984 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.700 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.200 | 0.440 |
Number of reflections | 31621 | |
<I/σ(I)> | 6.7 | 3.2 |
Completeness [%] | 98.3 | 97.9 |
Redundancy | 3.8 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 20% PEG 5000 MONOMETHYL ETHER (FLUKA) AND 20 MM SODIUM MES BUFFER, PH 6.0 |