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 |
