3MJI
Activation of catalytic cysteine without a base in a Mutant Penicillin Acylase Precursor
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 |
| Wavelength(s) | 0.978 |
| 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 | 19.950 - 2.500 |
| R-factor | 0.16839 |
| Rwork | 0.166 |
| R-free | 0.21122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.043 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0041) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.500 |
| Number of reflections | 62997 |
| Completeness [%] | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | pH 6.4, VAPOR DIFFUSION, HANGING DROP |
