7PXP
Benzoylsuccinyl-CoA thiolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.790, 105.510, 142.540 |
Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
Resolution | 48.410 - 2.000 |
R-factor | 0.212 |
Rwork | 0.211 |
R-free | 0.23300 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASES |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.410 | 48.410 | 2.100 |
High resolution limit [Å] | 2.000 | 12.000 | 2.000 |
Rmerge | 0.068 | 0.030 | 0.411 |
Rmeas | 0.082 | 0.036 | 0.527 |
Total number of observations | 465352 | ||
Number of reflections | 150424 | 774 | 14919 |
<I/σ(I)> | 10.82 | 30.22 | 2.29 |
Completeness [%] | 93.3 | 96.9 | 68.3 |
Redundancy | 3.094 | 3.323 | 2.211 |
CC(1/2) | 0.995 | 0.997 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293.15 | 18% PEG 3350 0.1 M MES, pH 6.0 0.1 M sodium citrate |