4ITN
Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 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) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.086, 68.524, 107.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.197 - 2.191 |
R-factor | 0.1946 |
Rwork | 0.193 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ehx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.163 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.191 | 5.970 | 2.191 |
Rmerge | 0.046 | 0.020 | 0.451 |
Number of reflections | 23573 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 97.4 | 93.4 | 83.4 |
Redundancy | 5.5 | 5.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, MPD, NaCl, DDM, Glycerol,methyl-2-acetamido-2-deoxy-B-D-glucopyranoside, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |