6B89
E. coli LptB in complex with ADP and novobiocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 190.319, 35.100, 63.050 |
| Unit cell angles | 90.00, 91.52, 90.00 |
Refinement procedure
| Resolution | 63.028 - 2.000 |
| R-factor | 0.1815 |
| Rwork | 0.179 |
| R-free | 0.22030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p32 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.747 |
| Data reduction software | Aimless |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.030 | 63.030 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.128 | 0.025 | 0.622 |
| Rmeas | 0.151 | 0.030 | 0.734 |
| Rpim | 0.080 | 0.017 | 0.385 |
| Total number of observations | 99157 | ||
| Number of reflections | 28485 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.4 | 99 | 99.2 |
| Redundancy | 3.5 | 3.3 | 3.5 |
| CC(1/2) | 0.994 | 0.999 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100mM MES pH = 6.5, 30% PEG4000 |
