1W3K
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOBIO DERIVED-TETRAHYDROOXAZINE
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 | 2003-03-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.565, 69.559, 76.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.300 - 1.200 |
| R-factor | 0.114 |
| Rwork | 0.113 |
| R-free | 0.13200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ocq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.499 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.046 | 0.376 |
| Number of reflections | 85611 | |
| <I/σ(I)> | 25.5 | 2.93 |
| Completeness [%] | 98.1 | 89.3 |
| Redundancy | 3.92 | 3.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | PROTEIN CONCENTRATION 20MG/ML, 1.3 M AMMONIUM SULPHATE PH 5.0, 25% GLYCEROL AS CRYOPROTECTANT |
