4H48
1.45 angstrom CyPet Structure at pH7.0
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 | 50.880, 62.920, 70.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.450 |
R-factor | 0.18004 |
Rwork | 0.178 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i19 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.600 |
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] | 35.100 | 1.530 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.052 | 0.291 |
Number of reflections | 39804 | |
Completeness [%] | 98.1 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 30% PEG 4000, 0.1M Tris-HCl, 0.2M Lithium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |