6P87
E.coli LpxD in complex with compound 5
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 | 97.213, 97.213, 216.185 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 84.189 - 1.900 |
R-factor | 0.1811 |
Rwork | 0.180 |
R-free | 0.20690 |
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] | 84.190 | 84.190 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.094 | 0.019 | 1.238 |
Rmeas | 0.102 | 0.021 | 1.339 |
Rpim | 0.037 | 0.008 | 0.504 |
Total number of observations | 686750 | 4282 | 32124 |
Number of reflections | 94046 | 688 | 4602 |
<I/σ(I)> | 14.3 | 55.7 | 1.6 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 7.3 | 6.2 | 7 |
CC(1/2) | 0.999 | 1.000 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Mg formate, 20% PEG 3350 |