1DFA
CRYSTAL STRUCTURE OF PI-SCEI IN C2 SPACE GROUP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.600, 76.000, 71.400 |
| Unit cell angles | 90.00, 111.30, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.28000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.180 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.157 |
| Number of reflections | 83916 | |
| <I/σ(I)> | 20 | |
| Completeness [%] | 87.9 | 50.3 |
| Redundancy | 4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 323 | 20% PEG 3350, 100MM TRIS-HCL, 100MM KCL, 200MM MGCL2, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 323.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3350 | 20 (%) | |
| 2 | 1 | reservoir | Tris/Cl | 100 (mM) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | 200 (mM) |
