4OZO
Crystal structure of an a-L-fucosidase GH29 from Bacteroides thetaiotaomicron (BT2192) in complex with oNPTG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 125.300, 122.170, 159.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.000 - 2.600 |
R-factor | 0.1681 |
Rwork | 0.165 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eyp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.000 | 2.700 | |
High resolution limit [Å] | 2.600 | 7.000 | 2.600 |
Rmerge | 0.128 | 0.041 | 0.662 |
Rmeas | 0.138 | 0.044 | 0.713 |
Total number of observations | 281551 | ||
Number of reflections | 38008 | 2075 | 4034 |
<I/σ(I)> | 13.76 | 32.12 | 3.59 |
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.5 M ammonium citrate, soaking with 250 mM ligand |