1JUF
Structure of Minor Histocompatibility Antigen peptide, H13b, complexed to H2-Db
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-02-18 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.997, 109.707, 57.654 |
Unit cell angles | 90.00, 120.52, 90.00 |
Refinement procedure
Resolution | 19.810 - 2.000 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.24200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1inq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 32587 | |
<I/σ(I)> | 47.6 | 15.8 |
Completeness [%] | 97.3 | 75.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 4000, Sodium Acetates, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |