3P76
X-ray crystal structure of Aquifex aeolicus LpxC complexed SCH1379777
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-09-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 65.592, 65.592, 133.588 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.440 - 1.930 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p42 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.9.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 4.160 | 1.930 |
| Rmerge | 0.115 | 0.083 | 0.310 |
| Number of reflections | 24215 | ||
| <I/σ(I)> | 13.4 | 27.4 | 4.8 |
| Completeness [%] | 99.0 | 99.5 | 93.6 |
| Redundancy | 3.2 | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 15% PEG MME 5K, 1M NaCl, 100mM Imidazol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
