6CNU
Crystal Structure of JzTX-V
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-07 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9976 |
| Spacegroup name | P 3 1 2 |
| Unit cell lengths | 37.160, 37.160, 64.605 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.050 |
| R-factor | 0.1908 |
| Rwork | 0.190 |
| R-free | 0.20920 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.254 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.310 | 32.310 | 1.070 |
| High resolution limit [Å] | 1.050 | 5.750 | 1.050 |
| Rmerge | 0.060 | 0.042 | 1.671 |
| Rmeas | 0.064 | 0.047 | 1.800 |
| Rpim | 0.024 | 0.020 | 0.661 |
| Total number of observations | 184278 | 1048 | 8556 |
| Number of reflections | 24183 | 173 | 1182 |
| <I/σ(I)> | 15.4 | 46.2 | 1.2 |
| Completeness [%] | 100.0 | 97.8 | 100 |
| Redundancy | 7.6 | 6.1 | 7.2 |
| CC(1/2) | 0.999 | 0.998 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium acetate, 1.5-2.0 M Ammonium Acetate |
