2IER
Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2006-07-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.283 |
Spacegroup name | P 61 |
Unit cell lengths | 101.206, 101.206, 122.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.700 |
Rwork | 0.213 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p42 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.128 | 0.333 |
Number of reflections | 19510 | |
<I/σ(I)> | 11.7 | 4.2 |
Redundancy | 6.3 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM HEPES (pH 8.0), 180 mM NaCl, 14% PEG 3350, 0.5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |