4O6Q
0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.437, 46.729, 101.037 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.304 - 0.950 |
R-factor | 0.1355 |
Rwork | 0.135 |
R-free | 0.14600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ell |
RMSD bond length | 0.012 |
RMSD bond angle | 1.456 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.519 | 34.437 | 1.000 |
High resolution limit [Å] | 0.950 | 3.000 | 0.950 |
Rmerge | 0.042 | 0.601 | |
Total number of observations | 42464 | 67153 | |
Number of reflections | 97317 | ||
<I/σ(I)> | 18.7 | 12.2 | 1.3 |
Completeness [%] | 94.1 | 99.9 | 80 |
Redundancy | 9.3 | 11.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 1.6M ammonium sulfate, 100mM Hepes, 200mM NaCl, pH 7.5, vapor diffusion, temperature 293K |