4V28
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Man-Man-Methylumbelliferone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 4 |
| Unit cell lengths | 108.472, 108.472, 67.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.700 - 1.200 |
| R-factor | 0.10691 |
| Rwork | 0.106 |
| R-free | 0.12707 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ad1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.478 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 122416 | |
| <I/σ(I)> | 12.6 | 2.3 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 6.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 2.8 M SODIUM ACETATE PH 6.4 |
