4P31
Crystal structure of a selenomethionine derivative of E. coli LptB in complex with ADP-Magensium
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 | CCD |
Collection date | 2011-03-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97917 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.600, 35.880, 64.340 |
Unit cell angles | 90.00, 95.83, 90.00 |
Refinement procedure
Resolution | 32.004 - 2.050 |
R-factor | 0.1873 |
Rwork | 0.184 |
R-free | 0.23750 |
Structure solution method | MIRAS |
RMSD bond length | 0.006 |
RMSD bond angle | 0.915 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | SHARP |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 95.802 | 32.004 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.026 | 0.498 | |
Rmeas | 0.120 | ||
Rpim | 0.065 | 0.035 | 0.398 |
Total number of observations | 90833 | 3025 | 12762 |
Number of reflections | 27803 | ||
<I/σ(I)> | 8.7 | 18.7 | 2.3 |
Completeness [%] | 99.2 | 98.8 | 97.8 |
Redundancy | 3.3 | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M MES pH 6.5, 31% PEG 4000 |