5JF5
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT020
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.000, 65.270, 88.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.240 - 1.800 |
R-factor | 0.18644 |
Rwork | 0.184 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aie |
RMSD bond length | 0.015 |
RMSD bond angle | 1.414 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.924 | |
Number of reflections | 22777 | |
<I/σ(I)> | 8.84 | 1.68 |
Completeness [%] | 99.7 | 98.6 |
Redundancy | 6.39 | 6.24 |
CC(1/2) | 0.994 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 8% PEG-8000, 100mM imidazole pH7.5, 400mM Zn acetate |