4IUQ
crystal structure of SHH1 SAWADEE domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.2819 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 54.708, 117.691, 53.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.067 - 2.809 |
R-factor | 0.2038 |
Rwork | 0.201 |
R-free | 0.26110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4iup |
RMSD bond length | 0.019 |
RMSD bond angle | 1.692 |
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 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.105 | 0.412 |
Number of reflections | 16076 | |
<I/σ(I)> | 14.3 | 2.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.1 | 3.1 |
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 |