4O6S
1.32A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, Zinc Bound)
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 1 21 1 |
| Unit cell lengths | 34.898, 66.232, 40.999 |
| Unit cell angles | 90.00, 97.13, 90.00 |
Refinement procedure
| Resolution | 34.628 - 1.320 |
| R-factor | 0.144 |
| Rwork | 0.143 |
| R-free | 0.16760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ell |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.356 |
| 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] | 40.682 | 66.232 | 1.390 |
| High resolution limit [Å] | 1.320 | 4.170 | 1.320 |
| Rmerge | 0.053 | 0.681 | |
| Total number of observations | 4778 | 21992 | |
| Number of reflections | 43290 | ||
| <I/σ(I)> | 7.7 | 11 | 1.1 |
| Completeness [%] | 99.6 | 99.1 | 99.8 |
| Redundancy | 3.5 | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 10% (v/V) isopropanol, 100mM Na Cacodylate, 200mM Zinc Acetate, pH 6.5, vapor diffusion, temperature 293K |
