3FON
Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide VNDIFEAI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 103.607, 68.002, 149.920 |
Unit cell angles | 90.00, 105.54, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.030 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.25100 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.694 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.110 |
High resolution limit [Å] | 2.030 | 4.390 | 2.040 |
Rmerge | 0.063 | 0.031 | 0.478 |
Number of reflections | 64629 | ||
<I/σ(I)> | 18.964 | ||
Completeness [%] | 99.0 | 98.7 | 91.7 |
Redundancy | 3.7 | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG 3000, 100 mM HEPES, pH 7.5, 200 mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |