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 |