5JF8
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9395 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.470, 65.760, 88.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.320 - 1.800 |
R-factor | 0.18727 |
Rwork | 0.186 |
R-free | 0.21951 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aie |
RMSD bond length | 0.015 |
RMSD bond angle | 1.529 |
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 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.409 | |
Number of reflections | 40918 | |
<I/σ(I)> | 9.87 | 2.09 |
Completeness [%] | 94.0 | 96.2 |
Redundancy | 2.4 | 2.29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 7% PEG-8000, 100mM Imidazole pH7.0, 200mM Zn acetate |