4ZAK
Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 78.921, 190.544, 150.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.420 - 2.824 |
| R-factor | 0.2179 |
| Rwork | 0.216 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.904 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.6.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 150.760 | 2.930 |
| High resolution limit [Å] | 2.824 | 2.824 |
| Rmerge | 0.573 | |
| Number of reflections | 27210 | |
| <I/σ(I)> | 10.4 | 1.9 |
| Completeness [%] | 98.1 | 98.6 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 20% PEG 4000, 0.2M ammonium citrate dibasic |
