7XKX
Crystal structure of Tpn2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2019-06-04 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9732 |
| Spacegroup name | P 31 |
| Unit cell lengths | 92.539, 92.539, 127.911 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.390 - 2.570 |
| R-factor | 0.2548 |
| Rwork | 0.253 |
| R-free | 0.28790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bp8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.670 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.120 | 0.603 |
| Number of reflections | 38716 | 4301 |
| <I/σ(I)> | 15.66 | 3.8 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.7 | 5.6 |
| CC(1/2) | 0.840 | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.01 M Zin sulfate heptahydrate, 0.1 M MES monohydrate, ph 6.5, 25% polyethylene glycol monomethyl ether 550 |
