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 |
