4L8P
Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-23 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 63 |
Unit cell lengths | 58.905, 58.905, 91.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.452 - 1.600 |
R-factor | 0.1526 |
Rwork | 0.151 |
R-free | 0.18080 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.488 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.452 | 29.452 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.058 | 0.651 | |
Total number of observations | 1963 | 12174 | |
Number of reflections | 23715 | ||
<I/σ(I)> | 11.1 | 26.3 | 2.7 |
Completeness [%] | 100.0 | 97.9 | 100 |
Redundancy | 7.3 | 7.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 50.00% polyethylene glycol 200, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |