4EHX
Crystal structure of LpxK from Aquifex aeolicus at 1.9 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.783, 69.049, 106.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.021 - 1.900 |
R-factor | 0.1737 |
Rwork | 0.172 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ehw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.059 | 0.026 | 0.563 |
Number of reflections | 36493 | ||
<I/σ(I)> | 9.4 | ||
Completeness [%] | 99.8 | 98.3 | 97.5 |
Redundancy | 5.6 | 5.3 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop, vapor diffusion | 7.5 | 293 | The reservoir solution contained 60% MPD and 0.1 M Hepes pH 7.5. The drop contained ~1 mg/ml protein, 54% MPD, 90 mM Hepes pH 7.5, 2 mM Hepes pH 8.0, 75 mM NaCl, 2% glycerol, ~0.03% DDM, 2 mM MgCl2, 0.4 mM AMP-PNP, 0.4 mM methyl-2-acetamido-2-deoxy-B-D-glucopyranoside. hanging drop, vapor diffusion, temperature 293K |