6P9R
E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6
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 | 2016-04-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 96.556, 96.556, 96.556 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.181 - 1.750 |
| R-factor | 0.1562 |
| Rwork | 0.155 |
| 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] | 55.750 | 55.750 | 1.780 |
| High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
| Rmerge | 0.075 | 0.022 | 0.684 |
| Rmeas | 0.079 | 0.023 | 0.888 |
| Rpim | 0.026 | 0.008 | 0.556 |
| Total number of observations | 261591 | 2241 | 2940 |
| Number of reflections | 30290 | 250 | 1473 |
| <I/σ(I)> | 18.9 | 60.5 | 1 |
| Completeness [%] | 99.1 | 98.7 | 88.3 |
| Redundancy | 8.6 | 9 | 2 |
| CC(1/2) | 0.999 | 1.000 | 0.401 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M Na/K phosphate, 10% PEG 1000 |
