6UFY
B. theta Bile Salt Hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2018-04-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.880, 92.320, 194.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.560 - 2.710 |
R-factor | 0.2583 |
Rwork | 0.256 |
R-free | 0.29810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.490 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.560 | 2.800 |
High resolution limit [Å] | 2.710 | 2.710 |
Number of reflections | 38728 | 3864 |
<I/σ(I)> | 4.28 | |
Completeness [%] | 91.1 | |
Redundancy | 4.6 | |
CC(1/2) | 0.967 | 0.437 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 42% tacimate 100 mM Tris pH 7.4 |