4H47
1.9 angstrom CyPet structure at pH5.2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97923 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.060, 62.640, 70.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.18456 |
Rwork | 0.182 |
R-free | 0.24268 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.049 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.960 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.064 | 0.557 |
Number of reflections | 17577 | |
<I/σ(I)> | 2.9 | |
Completeness [%] | 95.7 | 93.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 30% PEG 4000, 0.1M Sodium Acetate, 0.2M Lithium sulfate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |