4HI4
Crystal structure of the 5-coordinate ferric heme-binding PAS domain of Aer2 from P. aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2010-07-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97720 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.365, 67.435, 117.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.376 - 2.304 |
R-factor | 0.2297 |
Rwork | 0.228 |
R-free | 0.24790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.229 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.074 | 0.038 | 0.320 |
Number of reflections | 24384 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 6.5 | 5.9 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 5-20% PEG 4000, 0.2M sodium acetate, 0.1M Tris, pH 8.5-9.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |