4V1S
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
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 | 2010-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 81.677, 121.030, 125.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.150 - 1.500 |
| R-factor | 0.15039 |
| Rwork | 0.149 |
| R-free | 0.18040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED SELENOMETHIONINE DERIVATIVE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.680 |
| Number of reflections | 179372 | |
| <I/σ(I)> | 11 | 1.8 |
| Completeness [%] | 90.3 | 51.8 |
| Redundancy | 6.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 100 MM TRIS, PH 7.0, 1.25 M AMMONIUM PHOSPHATE |
