1A95
XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 289 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07-11 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 94.200, 94.200, 165.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nul |
| RMSD bond length | 0.005 |
| RMSD bond angle | 24.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.226 |
| Total number of observations | 92728 * | |
| Number of reflections | 40863 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 79.9 | 61.8 |
| Redundancy | 2.3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 * | XPRT WAS CRYSTALLISED FROM 15-20% PEG4000, 0.1 M BORATE PH 9.0, 0.1 M AMMONIUM PHOSPHATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 15-20 (%(w/v)) | |
| 2 | 1 | reservoir | borate | 0.1 (M) | |
| 3 | 1 | reservoir | ammonium phosphate | 0.2 (M) | |
| 4 | 1 | drop | protein | 20 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 50 (mM) | pH7.6 |
| 6 | 1 | drop | 10 (mM) |
