3GWH
Crystallographic Ab Initio protein solution far below atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-22 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.390, 65.750, 38.190 |
| Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
| Resolution | 35.980 - 1.950 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24100 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.848 |
| Data reduction software | SAINT |
| Data scaling software | TWINABS |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.980 | 2.040 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.091 | |
| Number of reflections | 12855 | |
| <I/σ(I)> | 20.21 | 2.45 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 16.7 | 1.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 2.4M (NH4)2SO4, 0.1M citric acid, pH6.0, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |
