4AD3
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with Glucose-1,3-deoxymannojirimycin
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 | 2011-05-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 222.478, 222.478, 84.715 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.490 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20153 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED STRUCTURE OF CLOSELY RELATED HOMOLOG |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0086) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | 0.980 |
| Number of reflections | 161771 | |
| <I/σ(I)> | 11.4 | 2.4 |
| Completeness [%] | 99.8 | 98.5 |
| Redundancy | 10.1 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M SODIUM ACETATE PH 4.9, 20% W/V PEG 2000 MME, 1.6% PGA-LM (POLY-GAMMA-GLUTAMIC ACID LOW MOLECULAR WEIGHT) |
