4UTF
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
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 | 2013-10-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 4 |
Unit cell lengths | 108.469, 108.469, 67.755 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.700 - 1.300 |
R-factor | 0.11333 |
Rwork | 0.112 |
R-free | 0.13901 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PREVIOUSLY SOLVED NATIVE APO STRUCTURE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.517 |
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] | 39.400 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.040 | 0.930 |
Number of reflections | 96371 | |
<I/σ(I)> | 18.8 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.6 | 2.8 M SODIUM ACETATE, PH 6.6 |