4PFJ
The structure of bi-acetylated SAHH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 98.366, 102.727, 176.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.180 - 2.300 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1li4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.847 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 39810 | |
| <I/σ(I)> | 10.2 | 1.24 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350, sodium formate, bis-tris |
