4MB9
Structure of Streptococcus pneumonia ParE in complex with AZ13102335
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-12 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.397, 94.279, 60.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.920 - 1.850 |
R-factor | 0.19776 |
Rwork | 0.195 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.492 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.920 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.073 | 0.467 |
Number of reflections | 18191 | |
Completeness [%] | 99.4 | 94.5 |
Redundancy | 4.53 | 3.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 18-25% Peg4000, 0.2M Ammonium Acetate, 0.1M MIB, pH 7.0, inhibitor soak, VAPOR DIFFUSION, HANGING DROP, temperature 293K |