3RO1
Crystal structure of the complex of the archaeal sulfolobus PTP-fold phosphatase with terpyridine platinum(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-02-27 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 |
| Unit cell lengths | 72.756, 72.756, 32.302 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.183 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i6i |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.060 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.325 |
| Number of reflections | 13525 | |
| <I/σ(I)> | 22.7 | 6.2 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M citrate, 20% PEG 3000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
