5HWV
Crystal structure of PAS1 complexed with toluene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2012-07-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.359, 47.755, 126.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.650 |
R-factor | 0.18183 |
Rwork | 0.179 |
R-free | 0.23087 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.024 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.650 |
Number of reflections | 30287 |
<I/σ(I)> | 48.62 |
Completeness [%] | 97.9 |
Redundancy | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294.15 | 3.0 M ammonium phosphate trihydrate, 0.1 M Tris-HCl |