6NVX
Crystal structure of penicillin G acylase from Bacillus sp. FJAT-27231
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.366, 77.686, 210.365 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.148 - 1.360 |
R-factor | 0.1497 |
Rwork | 0.149 |
R-free | 0.16740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cp9 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3386) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.150 | 46.150 | 1.380 |
High resolution limit [Å] | 1.360 | 7.450 | 1.360 |
Rmerge | 0.105 | 0.035 | 1.667 |
Rmeas | 0.109 | 0.036 | 1.749 |
Rpim | 0.031 | 0.010 | 0.521 |
Total number of observations | 2500361 | ||
Number of reflections | 202143 | 1422 | 9865 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12.4 | 12.6 | 10.9 |
CC(1/2) | 0.999 | 0.999 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 309 | 85 mM HEPES (pH 7.5), 8.5% (w/v) PEG 8000, 15% (v/v) glycerol |