1CLI
X-RAY CRYSTAL STRUCTURE OF AMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETASE (PURM), FROM THE E. COLI PURINE BIOSYNTHETIC PATHWAY, AT 2.5 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 170 |
| Detector technology | CCD |
| Collection date | 1998-02 |
| Detector | ADSC |
| Wavelength(s) | 0.9792,0.9790,0.9638 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.170, 211.680, 94.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.192 |
| R-free | 0.26400 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.000 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SnB |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.047 * | 0.143 * |
| Number of reflections | 44742 | |
| <I/σ(I)> | 8.8 | 5.1 |
| Completeness [%] | 91.4 | 93 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 15 (mM) | |
| 3 | 1 | drop | dithiothreitol | 10 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.1-2.25 (M) | |
| 5 | 1 | reservoir | isopropanol | 3-6 (%(v/v)) |
