4XZD
Crystal Structure of Wild-type HasA from Yersinia pseudotuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-10 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.740, 53.250, 82.580 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 35.656 - 1.700 |
| R-factor | 0.1772 |
| Rwork | 0.175 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dk0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.648 |
| Data reduction software | SCALA (3.3.21) |
| Phasing software | MOLREP (11.0.05) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.338 | 35.656 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.052 | 0.555 | |
| Rmeas | 0.129 | ||
| Rpim | 0.068 | 0.032 | 0.341 |
| Total number of observations | 162443 | 5454 | 23891 |
| Number of reflections | 45941 | ||
| <I/σ(I)> | 8.1 | 17.3 | 2.5 |
| Completeness [%] | 99.7 | 99.7 | 99.7 |
| Redundancy | 3.5 | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris HCl, 1.1 M Na-citrate, 1.5% 1,6-hexandiol |
