1V8P
Crystal structure of PAE2754 from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-11-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.560, 165.190, 203.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.500* |
| R-factor | 0.25 |
| Rwork | 0.250 |
| R-free | 0.30500 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 20.900 * |
| 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] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.064 | 0.418 |
| Total number of observations | 879180 * | |
| Number of reflections | 69531 | |
| <I/σ(I)> | 21.9 | 3.2 |
| Completeness [%] | 97.5 | 91.4 |
| Redundancy | 12.6 | 3.3 |
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 | 8 (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 | 30 (%) | |
| 6 | 1 | reservoir | PEG4000 | 18 (%) | |
| 7 | 1 | reservoir | trimethylamine-HCl | 10 (mM) |
