5YIG
Crystal structure of Streptococcus pneumonia ParE with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-17 |
Detector | RIGAKU AFC-5R |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.394, 61.980, 84.824 |
Unit cell angles | 90.00, 99.03, 90.00 |
Refinement procedure
Resolution | 35.934 - 2.800 |
R-factor | 0.2108 |
Rwork | 0.206 |
R-free | 0.25520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.991 |
Data scaling software | SAINT (V8.34A) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.934 | 2.865 |
High resolution limit [Å] | 2.800 | 1.800 |
Rmerge | 0.179 | |
Number of reflections | 21230 | |
<I/σ(I)> | 5.72 | |
Completeness [%] | 99.5 | |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Sodium Acetate, 18-22% PEG 3350 |