4HBZ
The Structure of Putative Phosphohistidine Phosphatase SixA from Nakamurella multipartitia.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 76.257, 76.257, 50.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.160 - 1.550 |
| R-factor | 0.1421 |
| Rwork | 0.141 |
| R-free | 0.16140 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.712 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.070 | 0.048 | 0.583 |
| Number of reflections | 22385 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 12.5 | 12.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M MgCl2, 0.1M Tris:HCl pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
