6P85
E.coli LpxD in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 98.911, 98.911, 215.312 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.830 - 1.900 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eh0 |
Data reduction software | XDS |
Data scaling software | SCALA (0.7.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.590 | 79.590 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.066 | 0.017 | 0.965 |
Rmeas | 0.071 | 0.019 | 1.041 |
Rpim | 0.025 | 0.007 | 0.381 |
Total number of observations | 705211 | 4248 | 33042 |
Number of reflections | 96767 | 683 | 4666 |
<I/σ(I)> | 16.3 | 54.9 | 2 |
Completeness [%] | 99.9 | 96.9 | 100 |
Redundancy | 7.3 | 6.2 | 7.1 |
CC(1/2) | 0.999 | 1.000 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Mg formate, 20% PEG 3350 |