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) |