4MOT
Structure of Streptococcus pneumonia pare in complex with AZ13072886
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-22 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.603, 94.571, 61.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.170 - 1.750 |
| R-factor | 0.19164 |
| Rwork | 0.190 |
| R-free | 0.22784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.692 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0036) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.220 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.065 | 0.420 |
| Number of reflections | 20778 | |
| <I/σ(I)> | 2.8 | |
| Completeness [%] | 95.2 | 70.5 |
| Redundancy | 6.62 | 4.05 |
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 |
