2IWM
precursor mutant Cys1Ser of Penicillin V Acylase from Bacillus sphaericus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.642, 90.089, 102.269 |
| Unit cell angles | 90.00, 102.13, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.500 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pva |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.506 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.090 |
| Number of reflections | 62997 |
| <I/σ(I)> | 16.5 |
| Completeness [%] | 99.9 |
| Redundancy | 3.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 700 MICRO LITRE PHOSPHATE BUFFER PH 6.4, 300 MICRO LITRE SATURATED AMMONIUM SULPHATE, 100 MICRO LITRE SUCROSE, 50 MICRO LITRE DMSO |
