6P83
E.coli LpxD in complex with compound 1o
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 | 2014-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.977408 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 97.722, 97.722, 215.999 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 84.630 - 1.700 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.19010 |
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] | 84.630 | 84.630 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.073 | 0.022 | 1.891 |
Rmeas | 0.078 | 0.024 | 2.010 |
Rpim | 0.027 | 0.009 | 0.677 |
Total number of observations | 1071901 | 6821 | 34563 |
Number of reflections | 123682 | 925 | 3998 |
<I/σ(I)> | 15.9 | 53.8 | 1.1 |
Completeness [%] | 94.1 | 99.5 | 62 |
Redundancy | 8.7 | 7.4 | 8.6 |
CC(1/2) | 0.999 | 0.999 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Mg formate, 20% PEG 3350 |