2Z71
Structure of truncated mutant CYS1GLY of penicillin V acylase from bacillus sphaericus co-crystallized with penicillin V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Collection date | 2003-03-08 |
Wavelength(s) | 0.933 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 129.730, 158.890, 90.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.24045 |
Rwork | 0.239 |
R-free | 0.27030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pva |
RMSD bond length | 0.054 |
RMSD bond angle | 0.979 |
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] | 2.600 |
Number of reflections | 28157 |
Completeness [%] | 89.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | pH 6.4, VAPOR DIFFUSION, HANGING DROP |