5JF7
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289
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 | 2010-01-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.470, 65.970, 89.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.660 - 2.100 |
R-factor | 0.1568 |
Rwork | 0.154 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aie |
RMSD bond length | 0.024 |
RMSD bond angle | 2.311 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.322 | |
Number of reflections | 26386 | |
<I/σ(I)> | 12.04 | 3.99 |
Completeness [%] | 94.8 | 86.3 |
Redundancy | 3.2 | 3.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13% PEG-8000, 100mM Imidazole pH6.5, 400mM Zn acetate |