6P9Q
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-10-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 3 |
Unit cell lengths | 97.125, 97.125, 97.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.651 - 1.700 |
R-factor | 0.1659 |
Rwork | 0.165 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lxa |
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] | 97.120 | 97.120 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.051 | 0.019 | 0.589 |
Rmeas | 0.056 | 0.020 | 0.770 |
Rpim | 0.021 | 0.008 | 0.490 |
Total number of observations | 177289 | 1579 | 845 |
Number of reflections | 31019 | 264 | 677 |
<I/σ(I)> | 20.3 | 64.6 | 0.8 |
Completeness [%] | 91.7 | 98.5 | 39 |
Redundancy | 5.7 | 6 | 1.2 |
CC(1/2) | 0.999 | 0.999 | 0.661 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Na/K phosphate, 10% PEG 1000 |