1V8O
Crystal Structure of PAE2754 from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2003-02-26 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.97941, 0.83208 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.360, 192.780, 60.440 |
| Unit cell angles | 90.00, 94.68, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.800 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.27900 |
| Structure solution method | SAD with data collection on Se-Met crystal at 0.97941 A |
| RMSD bond length | 0.007 |
| RMSD bond angle | 20.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.103 | 0.319 |
| Total number of observations | 286429 * | |
| Number of reflections | 32550 | |
| <I/σ(I)> | 10.7 | 1.9 |
| Completeness [%] | 96.1 | 72.7 |
| Redundancy | 8.8 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.2 | 291 | Arcus, V.L., (2004) Acta Cryst., D60, 733. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH9.2 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) | pH9.2 |
| 5 | 1 | reservoir | 2-propanol | 25-30 (%) | |
| 6 | 1 | reservoir | PEG4000 | 17-20 (%) | |
| 7 | 1 | reservoir | trimethylamine-HCl | 10 (mM) |
