1W3L
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI 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 | 2003-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.909, 69.434, 76.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.500 - 1.040 |
| R-factor | 0.106 |
| Rwork | 0.105 |
| R-free | 0.12100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ocq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.698 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.055 | 0.371 |
| Number of reflections | 132684 | |
| <I/σ(I)> | 29.5 | 3.1 |
| Completeness [%] | 98.9 | 97.3 |
| Redundancy | 8 | 7.1 |
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 |
