1BXQ
ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-02-15 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.829, 46.431, 65.186 |
| Unit cell angles | 90.00, 115.39, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.410 |
| R-factor | 0.1431 |
| R-free | 0.18210 |
| Structure solution method | OTHER |
| Starting model (for MR) | 1ppl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.029 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.450 |
| Rmerge | 0.074 | 0.094 |
| Total number of observations | 107304 * | |
| Number of reflections | 45997 | |
| <I/σ(I)> | 56.035 | 13.26 |
| Completeness [%] | 94.8 | 66.3 |
| Redundancy | 2.33 | 1.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 | 0.1 M CH3COONA 35% SATD. AMMONIUM SULPHATE PH 4.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 35 (%) | |
| 3 | 1 | reservoir | sodium acetate | 100 (mM) |
