4WL2
Structure of penicillin V acylase from Pectobacterium atrosepticum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-01-17 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.435 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 118.447, 150.206, 185.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.430 - 2.500 |
R-factor | 0.21981 |
Rwork | 0.218 |
R-free | 0.24839 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.721 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.700 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.117 | 0.786 |
Number of reflections | 101210 | |
<I/σ(I)> | 11.7 | 1.8 |
Completeness [%] | 88.5 | 58.2 |
Redundancy | 7.26 | 4.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 14% PEG 3350, 0.2 M sodium potassium tartrate, 0.1 M HEPES pH 7.5 |