1JX9
Penicillin Acylase, mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | MAC Science DIP-2020 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.586, 63.965, 64.020 |
| Unit cell angles | 72.61, 74.09, 73.68 |
Refinement procedure
| Resolution | 30.000 * - 2.280 |
| R-factor | 0.16873 |
| Rwork | 0.166 |
| R-free | 0.21500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pnk |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.384 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.068 * | 0.163 * |
| Total number of observations | 193740 * | |
| Number of reflections | 30372 * | |
| <I/σ(I)> | 9.6 | 3.9 |
| Completeness [%] | 95.1 * | 93.6 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 4 * | MOPS buffer, PEG MME 2k, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4-10 (mg/ml) | |
| 2 | 1 | drop | MOPS | 50 (mM) | pH7.2 |
| 3 | 1 | reservoir | MOPS | 50 (mM) | pH7.2 |
| 4 | 1 | reservoir | PEG2000 MME | 12-20 (%(w/v)) |
