5JF2
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT002
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.300, 65.540, 88.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.460 - 2.000 |
R-factor | 0.16605 |
Rwork | 0.164 |
R-free | 0.20019 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aie |
RMSD bond length | 0.014 |
RMSD bond angle | 1.475 |
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 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.396 | |
Number of reflections | 31403 | |
<I/σ(I)> | 10.22 | 3.07 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.21 | 3.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 5% PEG-8000, 100mM Imidazole pH7.5, 300mM Zn acetate |