5C9J
Human CD1c with ligands in A' and F' channel
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.130, 97.130, 115.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.340 - 2.400 |
R-factor | 0.15823 |
Rwork | 0.155 |
R-free | 0.20006 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ov6 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.372 |
Data reduction software | XDS (03.11.14) |
Data scaling software | XSCALE (03.11.14) |
Phasing software | PHASER (1.8.4) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.340 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.054 | 0.019 | 0.599 |
Rmeas | 0.066 | 0.023 | 0.756 |
Total number of observations | 141258 | ||
Number of reflections | 46442 | 497 | 2946 |
<I/σ(I)> | 15.39 | 40.52 | 1.78 |
Completeness [%] | 97.8 | 94.8 | 84.9 |
Redundancy | 3.04 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.2M Magnesium chloride, 0.1M Tris pH 8, 10% PEG 8000, 1:1 protein to precipitant ratio. |