5UG7
Calcium bound Perforin C2 Domain - T431D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 50.996, 31.312, 86.364 |
| Unit cell angles | 90.00, 101.35, 90.00 |
Refinement procedure
| Resolution | 42.340 - 1.800 |
| R-factor | 0.212 |
| Rwork | 0.211 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nsj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.340 | 42.340 | 1.830 |
| High resolution limit [Å] | 1.800 | 8.990 | 1.800 |
| Rmerge | 0.056 | 0.035 | 0.490 |
| Rmeas | 0.065 | ||
| Rpim | 0.032 | ||
| Total number of observations | 51689 | ||
| Number of reflections | 12655 | ||
| <I/σ(I)> | 17.7 | ||
| Completeness [%] | 99.3 | 99 | 88.6 |
| Redundancy | 4.1 | 3.5 | 3.5 |
| CC(1/2) | 0.999 | 0.996 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M MgCl2, 0.1 M Na-HEPES pH7.5, 10% w/v PEG 4000 |
