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 |
