1CP9
CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-10-31 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 140.645, 140.645, 200.189 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.154 |
| Rwork | 0.154 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MODIFIED PDB ENTRY 1PNK |
| RMSD bond length | 0.015 |
| RMSD bond angle | 24.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.115 * | 0.291 * |
| Total number of observations | 239869 * | |
| Number of reflections | 39576 | |
| <I/σ(I)> | 13.8 | 3.5 |
| Completeness [%] | 96.0 | 86.3 |
| Redundancy | 3.7 | 16.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | PROTEIN WAS CRYSTALLIZED FROM 30-45% SATURATED AMMONIUM SULFATE, 15% GLYCEROL, 50 MM K2HPO4, 0.02% W/V SODIUM AZIDE, PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 12 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 50 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 15-25 (%sat) | |
| 4 | 1 | drop | glycerol | 12-15 (%(v/v)) | |
| 5 | 1 | drop | sodium azide | 0.02 (%(w/v)) | |
| 6 | 1 | reservoir | ammonium sulfate | 30-45 (%sat) |
