4O6T
1.25A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, pH 5.4)
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 | 2011-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.431, 46.784, 101.807 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.510 - 1.250 |
| R-factor | 0.1543 |
| Rwork | 0.153 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.370 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.2_860) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.903 | 101.807 | 1.320 |
| High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
| Rmerge | 0.035 | 0.806 | |
| Total number of observations | 10080 | 42000 | |
| Number of reflections | 46491 | ||
| <I/σ(I)> | 12.1 | 17 | 1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.4 | 6.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 293 | 1.6M ammonium sulfate, 100mM MES, 10% (v/V) dioxane, pH 5.4, vapor diffusion, temperature 293K |
