2WZS
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Mannoimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.190, 152.390, 221.450 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 218.220 - 2.250 |
| R-factor | 0.20251 |
| Rwork | 0.200 |
| R-free | 0.24227 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BT3990 APO |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.168 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.100 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.170 | 0.470 |
| Number of reflections | 341632 | |
| <I/σ(I)> | 7.6 | 2.01 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG 1500 W/V, 0.1M MIBS (PH 6.0) |
