4H41
Crystal structure of a putative alpha-L-fucosidase (BT_0435) from Bacteroides thetaiotaomicron VPI-5482 at 1.80 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-22 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.670, 125.700, 80.010 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 29.135 - 1.800 |
R-factor | 0.1343 |
Rwork | 0.133 |
R-free | 0.15800 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.135 | 29.135 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.088 | 0.595 | |
Total number of observations | 14860 | 21739 | |
Number of reflections | 89110 | ||
<I/σ(I)> | 12.7 | 30 | 2.1 |
Completeness [%] | 93.6 | 98.1 | 60.5 |
Redundancy | 12.7 | 13.6 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 40.0% polyethylene glycol 400, 5.0% polyethylene glycol 3000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |