4V1R
Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 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 | 2013-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 81.695, 120.743, 126.161 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 126.160 - 1.800 |
| R-factor | 0.14872 |
| Rwork | 0.148 |
| R-free | 0.16814 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.382 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX (CDE PIPELINE) |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 115956 | |
| <I/σ(I)> | 14.2 | 3.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 1.5 M AMMONIUM TARTRATE PH 7.2 |
