6SZH
Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GW197
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.300, 64.120, 71.600 |
Unit cell angles | 90.00, 92.70, 90.00 |
Refinement procedure
Resolution | 23.840 - 1.650 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x07 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.960 |
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] | 71.521 | 1.736 |
High resolution limit [Å] | 1.647 | 1.647 |
Rmeas | 0.033 | 0.582 |
Number of reflections | 52406 | 2618 |
<I/σ(I)> | 21.6 | 1.6 |
Completeness [%] | 85.1 | 32.4 |
Redundancy | 3.3 | 2.9 |
CC(1/2) | 0.999 | 0.776 |
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 (+ crystal seeds) |