4JER
1.1A resolution Apo structure of the hemophore HasA from Yersinia pestis (Tetragonal Form)
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 | 2012-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 70.340, 70.340, 74.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.036 - 1.100 |
| R-factor | 0.1391 |
| Rwork | 0.139 |
| R-free | 0.14600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dk0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.214 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.255 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.042 | 0.755 |
| Number of reflections | 76552 | |
| <I/σ(I)> | 21.8 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.3 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 293 | 0.2 M potassium sodium tartarate tetrahydrate, 20% (w/v) PEG 3350, pH 7.8, vapor diffusion, temperature 293K |
