5JX8
New improved structure of D4 in trigonal space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-25 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.130, 85.130, 139.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.620 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2owq |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS (March 30, 2013) |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2142: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.570 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.034 | 0.614 |
| Number of reflections | 39960 | |
| <I/σ(I)> | 26.7 | 2.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.25 | 295 | 1.5M (NH4)2SO4, 12% Glycerol, 0.1M Hepes |
