6F1D
CUB2 domain of C1r
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.688, 50.459, 69.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.542 - 1.950 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lor |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.337 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2722) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.490 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.074 | 0.545 |
| Number of reflections | 11599 | |
| <I/σ(I)> | 13.4 | 3.2 |
| Completeness [%] | 98.1 | |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 50 mM Tris-HCl at pH 8.5 containing 25% PEG-8K, 2 mM CaCl2 and 3% 1,6-diaminohexane |
