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 |