1P42
Crystal structure of Aquifex aeolicus LpxC Deacetylase (Zinc-Inhibited Form)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 98 |
| Detector technology | CCD |
| Collection date | 2002-06-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.2825, 1.2832, 1.2565 |
| Spacegroup name | P 61 |
| Unit cell lengths | 101.660, 101.660, 125.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.470 - 2.000 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.21100 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.500 * |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 * | 0.329 |
| Total number of observations | 497657 * | |
| Number of reflections | 97852 | |
| <I/σ(I)> | 19 | 5.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 21 * | NaCl, HEPES, ZnSO4, magnesium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.2 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25 (mM) | pH7.0 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | drop | magnesium acetate | 10 (mM) | |
| 5 | 1 | drop | 0.5 (mM) | ||
| 6 | 1 | reservoir | 0.8 (M) | ||
| 7 | 1 | reservoir | HEPES | 0.1 (M) | pH7.0 |
