1H2G
Altered substrate specificity mutant of penicillin acylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.020, 64.230, 70.670 |
| Unit cell angles | 70.58, 72.81, 73.84 |
Refinement procedure
| Resolution | 19.800 - 2.000 |
| Rwork | 0.152 |
| R-free | 0.01940 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pnk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.700 * |
| Data reduction software | DENZO |
| Data scaling software | Agrovata |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0.36) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 * | 2.430 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.101 |
| Total number of observations | 102704 * | |
| Number of reflections | 50677 | |
| <I/σ(I)> | 14.8 | 7.1 |
| Completeness [%] | 93.0 | 80 |
| Redundancy | 2 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 | 50MM MOPS PH 7.2, 12% MME PEG2K, STREAK-SEEDING |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | drop | PEG2000 MME | 11 (%(w/v)) | |
| 3 | 1 | drop | MOPS | 50 (mM) | pH7.2 |
