4ITL
Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.086, 75.372, 104.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.453 - 2.090 |
R-factor | 0.1688 |
Rwork | 0.167 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ehy |
RMSD bond length | 0.013 |
RMSD bond angle | 1.520 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.090 | 5.700 | 2.090 |
Rmerge | 0.059 | 0.050 | 0.391 |
Number of reflections | 29108 | ||
<I/σ(I)> | 17.5 | ||
Completeness [%] | 92.3 | 91.7 | 62.8 |
Redundancy | 4.4 | 4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, MPD, NaCl, DDM, Glycerol, EDTA, AMP-PCP, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |