5ZC3
The Crystal Structure of PcRxLR12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.532, 78.308, 179.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 3.005 |
| R-factor | 0.2121 |
| Rwork | 0.209 |
| R-free | 0.26030 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.066 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 19409 | 1622 |
| <I/σ(I)> | 32.3 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.1 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 100mM HEPES pH 7.5, 6%(w/v) PEG 6000 and 5%(v/v) -2-methyl-2,4-pentanediol |
