6P84
E.coli LpxD in complex with compound 2o
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 96.584, 96.584, 216.361 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.421 - 1.700 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.19610 |
| 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] | 78.020 | 78.020 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
| Rmerge | 0.115 | 0.043 | 1.226 |
| Rmeas | 0.123 | 0.046 | 1.320 |
| Rpim | 0.041 | 0.015 | 0.472 |
| Total number of observations | 958641 | 7782 | 33306 |
| Number of reflections | 113613 | 916 | 4692 |
| <I/σ(I)> | 10.9 | 31.3 | 1.3 |
| Completeness [%] | 88.1 | 99.8 | 74 |
| Redundancy | 8.4 | 8.5 | 7.1 |
| CC(1/2) | 0.998 | 0.999 | 0.533 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.2M Mg formate, 20% PEG 3350 |
