1M8P
Crystal Structure of P. chrysogenum ATP Sulfurylase in the T-state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.980 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 135.449, 135.449, 234.587 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 * - 2.600 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i2d |
RMSD bond length | 0.012 |
RMSD bond angle | 1.670 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.058 | 0.248 |
Total number of observations | 391636 * | |
Number of reflections | 77547 | 8436 * |
<I/σ(I)> | 3.6 | |
Completeness [%] | 99.2 | 98.5 |
Redundancy | 5.1 | 3.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 22 * | PEG 8000, magnesium chloride, tris(hydroxymethyl)aminomethane, 3'-phosphoadenosine-5'-phosphosulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ATP sulfurylase | 10 (mg/ml) | |
2 | 1 | drop | PAPS | 5 (mM) | |
3 | 1 | drop | EDTA | 0.2 (mM) | |
4 | 1 | drop | Tris | 10 (mM) | pH8.0 |
5 | 1 | reservoir | PEG8000 | 10-14 (%(w/v)) | |
6 | 1 | reservoir | 150-250 (mM) | ||
7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |