1A98
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 289 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-03-29 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.166, 70.927, 54.051 |
| Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nul |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.075 * |
| Data reduction software | PROCESS ((HIGASHI)) |
| Data scaling software | PROCESS ((HIGASHI)) |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.037 | 0.172 |
| Total number of observations | 16902 * | |
| Number of reflections | 11089 | |
| <I/σ(I)> | 11.8 | 3.4 |
| Completeness [%] | 79.5 | 66.9 |
| Redundancy | 1.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 * | XPRT WAS CRYSTALLIZED FROM 20% PEG4000 IN 0.1 M TRIS-HCL, pH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 20 (%) | |
| 2 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.0 |
| 3 | 1 | drop | protein | 20 (mg/ml) | |
| 4 | 1 | drop | Tris-HCl | 50 (mM) | pH7.6 |
| 5 | 1 | drop | 10 (mM) |
