6SZG
Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GR839 and GSK513
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-14 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.800, 63.630, 71.430 |
| Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.840 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.342 | 1.958 |
| High resolution limit [Å] | 1.840 | 1.835 |
| Rmeas | 0.110 | 0.793 |
| Number of reflections | 37882 | 1896 |
| <I/σ(I)> | 7.9 | 1.4 |
| Completeness [%] | 89.8 | 49 |
| Redundancy | 3.2 | 3.4 |
| CC(1/2) | 0.997 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 200mM Calcium Acetate, 20% PEG 3350 and 20% Glycerol (+ seed crystals) |
