4DNX
The structure of the ATP sulfurylase from Allochromatium vinosum in the open state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.286, 96.972, 73.458 |
| Unit cell angles | 90.00, 117.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.18016 |
| Rwork | 0.179 |
| R-free | 0.20242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jhd |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.648 |
| Data reduction software | DENZO (1.96.9) |
| Data scaling software | SCALEPACK (1.96.9) |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.6.0095) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.100 | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
| Rmerge | 0.060 | ||
| Number of reflections | 98813 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 83.4 | 92.8 | 38.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 1.5 M potassium sodium tartrate and 100 mM MES pH 6.5, VAPOR DIFFUSION, temperature 291K |
