6P8A
E.coli LpxD in complex with compound 8.1
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 | 2014-08-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 97.058, 97.058, 216.169 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.706 - 1.800 |
R-factor | 0.1711 |
Rwork | 0.170 |
R-free | 0.19770 |
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] | 84.050 | 84.050 | 1.830 |
High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
Rmerge | 0.092 | 0.018 | 1.176 |
Rmeas | 0.103 | 0.021 | 1.310 |
Rpim | 0.045 | 0.010 | 0.574 |
Total number of observations | 547182 | 3483 | 28000 |
Number of reflections | 106853 | 787 | 5397 |
<I/σ(I)> | 14.1 | 56.1 | 1.4 |
Completeness [%] | 97.1 | 99.6 | 100 |
Redundancy | 5.1 | 4.4 | 5.2 |
CC(1/2) | 0.999 | 1.000 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Mg formate, 20% PEG 3350 |