1KLG
Crystal structure of HLA-DR1/TPI(23-37, Thr28-->Ile mutant) complexed with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-08-30 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.9785 |
Spacegroup name | H 3 |
Unit cell lengths | 172.986, 172.986, 121.435 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.960 - 2.400 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.24500 * |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.378 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | |
High resolution limit [Å] | 2.400 * | 2.400 * |
Rmerge | 0.116 * | 0.590 * |
Total number of observations | 154803 * | |
Number of reflections | 52723 | |
Completeness [%] | 99.6 * | 99.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | PEG 4000, sodium acetate, ethylene glycol, pH 5.2, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | sodium acetate | 0.1 (M) | pH5.2 |
3 | 1 | reservoir | ethylene glycol | 10 (%(w/v)) | |
4 | 1 | reservoir | PEG4000 | 2-4 (%(w/v)) |