2MAS
PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-10-16 |
| Detector | SIEMENS |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.630, 159.760, 206.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 * - 2.300 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNLIGANDED IU-NH (PDB CODE 1MAS) WATERS AND IONS REMOVED |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 * |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.300 | 2.500 |
| High resolution limit [Å] | 2.300 * | 2.300 |
| Rmerge | 0.082 | |
| Number of reflections | 73166 | |
| <I/σ(I)> | 9.31 | 2.2 |
| Completeness [%] | 80.8 | 75 * |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 1.8 M AMMONIUM SULFATE, 3% ISOPROPANOL, pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 34 (mg/ml) | |
| 2 | 1 | drop | subunits | 1.0 (mM) | |
| 3 | 1 | drop | tetramer | 0.25 (mM) | |
| 4 | 1 | drop | triethanolamine | 10 (mM) | |
| 5 | 1 | drop | inhibitor | 4 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
| 7 | 1 | reservoir | 2-propanol | 3 (%) |
