3SS0
Engineered high-affinity halide-binding protein derived from YFP: fluoride complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.063, 62.975, 69.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.170 - 1.492 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.19170 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3sry |
RMSD bond length | 0.008 |
RMSD bond angle | 1.312 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.170 | 50.000 | 1.520 |
High resolution limit [Å] | 1.492 | 4.040 | 1.490 |
Rmerge | 0.067 | 0.038 | 0.487 |
Number of reflections | 36123 | ||
<I/σ(I)> | 15.9 | ||
Completeness [%] | 97.2 | 97.1 | 96.2 |
Redundancy | 3.6 | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 290 | 17% PEG3000, 100 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |