1V47
Crystal structure of ATP sulfurylase from Thermus thermophillus HB8 in complex with APS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.295 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.858, 61.254, 128.665 |
| Unit cell angles | 90.00, 95.43, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.490 |
| R-factor | 0.226 |
| Rwork | 0.219 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i2d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 37238 | |
| <I/σ(I)> | 24.1 | |
| Completeness [%] | 97.9 | 91.8 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6 | 293 | PEG 6000, MES, adenosine-5'-phosphosulfate, pH 6.0, EVAPORATION, temperature 293K |
