1OZ9
Crystal structure of AQ_1354, a hypothetical protein from Aquifex aeolicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 58.018, 58.018, 110.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.000 - 1.890 * |
| R-factor | 0.20658 |
| Rwork | 0.205 |
| R-free | 0.23400 * |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.524 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.200 * | 1.943 |
| High resolution limit [Å] | 1.890 | 1.890 * |
| Rmerge | 0.055 | 0.460 * |
| Number of reflections | 28054 * | |
| <I/σ(I)> | 25 | 2.2 |
| Completeness [%] | 96.3 * | 85.8 * |
| Redundancy | 9.3 * | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | PEG 4K, Na Acetate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.0 |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 8 | 1 | reservoir | PEG4000 | 30 (%) |
