6P9T
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 8
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 | 2017-08-24 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 95.793, 95.793, 95.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.896 - 1.750 |
| R-factor | 0.1665 |
| Rwork | 0.166 |
| R-free | 0.18500 |
| 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] | 67.740 | 67.740 | 1.780 |
| High resolution limit [Å] | 1.750 | 8.920 | 1.750 |
| Rmerge | 0.102 | 0.040 | 1.751 |
| Rmeas | 0.108 | 0.042 | 1.916 |
| Rpim | 0.037 | 0.011 | 0.771 |
| Total number of observations | 239203 | 3292 | 10589 |
| Number of reflections | 29835 | 263 | 1729 |
| <I/σ(I)> | 11.8 | 47.4 | 0.8 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 8 | 12.5 | 6.1 |
| CC(1/2) | 0.999 | 0.999 | 0.455 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Na/K phosphate, 10% PEG 1000 |
