4P33
Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 66.620, 138.360, 101.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.862 - 1.650 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p32 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.965 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.180 | 40.862 | 1.740 |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.110 | 0.806 | |
Rmeas | 0.149 | ||
Rpim | 0.053 | 0.043 | 0.299 |
Total number of observations | 442034 | 13833 | 64450 |
Number of reflections | 56025 | ||
<I/σ(I)> | 9.2 | 15.8 | 2.8 |
Completeness [%] | 99.2 | 95.7 | 98.5 |
Redundancy | 7.9 | 7.5 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.6 M sodium chloride, 0.1 M MES pH 7.0, 26.5% PEG 4000 |