1B2M
THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES AND CATALYSIS.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.910, 90.290, 33.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rnt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.420 * |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.064 * |
| Number of reflections | 11298 |
| Completeness [%] | 75.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.1 | pH 4.10 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM ACETATE | ||
| 2 | 1 | 1 | TRIS | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | PEG 4000 | ||
| 5 | 1 | 2 | PEG 4000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 10 (mM) | |
| 2 | 1 | drop | protein | 10 (mg/ml) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 4 | 1 | reservoir | 0.2 (M) | ||
| 5 | 1 | reservoir | PEG4000 | 30 (%) |
