2P3E
Crystal structure of AQ1208 from Aquifex aeolicus
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 | 2007-01-31 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.515, 87.675, 152.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.740 - 1.990 |
| R-factor | 0.18645 |
| Rwork | 0.185 |
| R-free | 0.21793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1twi |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.201 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 69805 | |
| <I/σ(I)> | 6.08 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.6 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | USING 2.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (9.34 mg/ml) AND SOLUTION CONTAINING 5% v/v ISOPROPANOL, 2.0 M AMMONIUM SULFATE, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
