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 |