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) |
