6ISA
mCD226
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.319, 65.771, 70.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.950 - 2.000 |
| R-factor | 0.2148 |
| Rwork | 0.213 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6isb |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.527 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.088 | 0.270 |
| Rpim | 0.038 | 0.128 |
| Number of reflections | 16031 | 1536 |
| <I/σ(I)> | 17.117 | |
| Completeness [%] | 97.6 | 95.5 |
| Redundancy | 5.6 | 5 |
| CC(1/2) | 1.000 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Na HEPES (pH 7.5), 10 % (w/v) PEG 8000, and 8% (v/v) ethylene glycol |
