1P4A
Crystal Structure of the PurR complexed with cPRPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-11-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.371, 135.718, 82.071 |
| Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
| Resolution | 37.800 - 2.220 |
| R-factor | 0.18032 |
| Rwork | 0.177 |
| R-free | 0.23400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.136 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.800 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.055 * | 0.318 * |
| Number of reflections | 58633 | |
| Completeness [%] | 98.3 | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 20 * | PEG 400, Sodium chloride, Calcium chloride, Ammonium sulfate, magnesium chloride, cPRPP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH8.0 |
| 3 | 1 | drop | 300 (mM) | ||
| 4 | 1 | drop | ammonium sulfate | 50 (mM) | |
| 5 | 1 | drop | 10 (mM) | ||
| 6 | 1 | drop | cPRPP | 5 (mM) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
| 8 | 1 | reservoir | 200 (mM) | ||
| 9 | 1 | reservoir | PEG400 | 28 (%) |
