2IES
Crystal Structure of Aquifex aeolicus LpxC Complexed with Pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-06-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 |
| Unit cell lengths | 98.850, 98.850, 125.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| Rwork | 0.230 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p42 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.134 | 0.134 |
| Number of reflections | 12560 | |
| <I/σ(I)> | 5.7 | 2 |
| Redundancy | 2.65 | 2.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 100 mM HEPES (pH 7.5), 180 mM NaCl, 10% PEG 3350, 0.5 mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
