4V2X
High resolution structure of the full length tri-modular endo-beta-1, 4-glucanase B (Cel5B) from Bacillus halodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.220, 141.840, 50.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.270 - 1.640 |
| R-factor | 0.15562 |
| Rwork | 0.154 |
| R-free | 0.18094 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ndz |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.066 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.270 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.070 | 0.740 |
| Number of reflections | 66600 | |
| <I/σ(I)> | 19.7 | 2.6 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.2 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M CALCIUM ACETATE, 0.1 M CACODYLATE PH 6.5, 8% PEG 8K WITH 30% GLYCEROL ADDED TO ABOVE AS CRYOPROTECTANT |
