4IUT
crystal structure of SHH1 SAWADEE domain in complex with H3K9me2 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.391, 56.706, 59.057 |
| Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
| Resolution | 40.872 - 2.700 |
| R-factor | 0.2043 |
| Rwork | 0.202 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iup |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.538 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.149 | 0.560 |
| Number of reflections | 9744 | |
| <I/σ(I)> | 9.6 | 1.9 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2 M NH4F, 20% PEG 3350, 7.6 mM 4-Cyclohexyl-1-Butyl-D-Maltoside , VAPOR DIFFUSION, SITTING DROP, temperature 277K |
