4IUV
crystal structure of SHH1 SAWADEE domain in complex with H3K4me1K9me1 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 21 21 2 |
| Unit cell lengths | 118.355, 54.533, 53.109 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.526 - 2.800 |
| R-factor | 0.2068 |
| Rwork | 0.204 |
| R-free | 0.25260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iup |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.002 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.123 | 0.514 |
| Number of reflections | 8999 | |
| <I/σ(I)> | 14.8 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 6.1 |
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 |
