4IYJ
Crystal structure of a putative acylhydrolase (BACUNI_03406) from Bacteroides uniformis ATCC 8492 at 1.37 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401,0.979415 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.899, 61.282, 124.514 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.552 - 1.370 |
R-factor | 0.1356 |
Rwork | 0.134 |
R-free | 0.17320 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.439 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.552 | 29.552 | 1.410 |
High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
Rmerge | 0.042 | 0.880 | |
Total number of observations | 3865 | 23690 | |
Number of reflections | 93097 | ||
<I/σ(I)> | 7.2 | 15 | 0.8 |
Completeness [%] | 99.4 | 95.8 | 99.5 |
Redundancy | 3.5 | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 10.00% 2-propanol, 20.00% polyethylene glycol 4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |