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 |