1MKP
CRYSTAL STRUCTURE OF PYST1 (MKP3)
Experimental procedure
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 90.000, 90.000, 68.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.350 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.23500 |
Structure solution method | MIR |
RMSD bond length | 0.007 |
RMSD bond angle | 1.130 * |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.450 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.039 * | 0.178 * |
Total number of observations | 95185 * | |
Number of reflections | 12163 | |
<I/σ(I)> | 11.8 | 4.2 |
Completeness [%] | 99.8 | 99 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.2 * | pH 6.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 2.5 (M) | ||
2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
3 | 1 | reservoir | MPD | 1 (%) | |
4 | 1 | reservoir | dithiothreitol | 5 (mM) |