3VP5
X-ray Crystal Structure of Wild Type HrtR in the Holo Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-15 |
| Detector | MarMosaic225 Rayonix |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 48.140, 51.998, 87.477 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.663 - 1.900 |
| R-factor | 0.2134 |
| Rwork | 0.211 |
| R-free | 0.26490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.297 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 0.241 |
| Number of reflections | 17259 | |
| <I/σ(I)> | 32.961 | 5.691 |
| Completeness [%] | 96.1 | 82.1 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 19 % (w/v) polyethylene glycol 4000, 0.1M sodium cacodylate, 0.2M magnesium chloride, pH 6.0, vapor diffusion, hanging drop, temperature 293K |
