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 |