4IUR
crystal structure of SHH1 SAWADEE domain in complex with H3K9me3 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.341, 56.152, 58.936 |
| Unit cell angles | 90.00, 93.02, 90.00 |
Refinement procedure
| Resolution | 40.572 - 2.501 |
| R-factor | 0.2166 |
| Rwork | 0.215 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iup |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.946 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.097 | 0.541 |
| Number of reflections | 12197 | |
| <I/σ(I)> | 32.1 | 4.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6 | 6.2 |
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 |
