1J70
CRYSTAL STRUCTURE OF YEAST ATP SULFURYLASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 230.850, 230.850, 69.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.840 - 2.500 * |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.26500 * |
Structure solution method | MAD |
RMSD bond length | 0.007 * |
RMSD bond angle | 15.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.500 * | 2.300 |
Rmerge | 0.069 * | 0.196 * |
Total number of observations | 224134 * | |
Number of reflections | 73134 * | |
<I/σ(I)> | 13.2 | |
Completeness [%] | 98.7 * | 99.2 * |
Redundancy | 4 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | 4% PEG 6000, 1.8 M LiCl, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | 4% PEG 6000, 1.8 M LiCl, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 4 (%) | |
2 | 1 | reservoir | 1.8 (M) | ||
3 | 1 | reservoir | HEPES | 50 (mM) | pH7.0 |
4 | 1 | reservoir | glycerol | 20 (%) | |
5 | 1 | drop | protein | 30-40 (mg/ml) |