5HWW
Crystal structure of PAS1 complexed with 1,2,4-TMB
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] | 173.15 |
| Detector technology | CCD |
| Collection date | 2012-07-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.387, 51.016, 100.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.19806 |
| Rwork | 0.192 |
| R-free | 0.26941 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.868 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.960 |
| Number of reflections | 17149 |
| <I/σ(I)> | 49.98 |
| Completeness [%] | 98.8 |
| Redundancy | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294.15 | 3.0 M ammonium phosphate, 0.1 M Tris-HCl |
