4J9T
Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97012 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.163, 79.677, 83.777 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.021 - 1.400 |
R-factor | 0.1382 |
Rwork | 0.135 |
R-free | 0.16620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1euu |
RMSD bond length | 0.007 |
RMSD bond angle | 1.148 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.021 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.059 | 0.420 |
Number of reflections | 61532 | |
<I/σ(I)> | 29.2 | 4.9 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch under oil | 6.5 | 277 | protein buffer: 10 mM Tris HCl (pH 8). Precipitation cocktail: 100 MM NA CACODYLATE (PH 6.5), 5 mM FeCl2, 15% PEG 3350 Microbatch under oil, temperature 277K |