4L8C
Crystal structure of the H2Db in complex with the NP-N3D peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.956 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.567, 85.464, 138.506 |
Unit cell angles | 90.00, 90.18, 90.00 |
Refinement procedure
Resolution | 59.010 - 2.800 |
R-factor | 0.1894 |
Rwork | 0.186 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4huu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data scaling software | SCALA (3.3.12) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 138.505 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.604 | |
Number of reflections | 47116 | |
<I/σ(I)> | 2.3 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris-HCl, pH 8.5, 0.2 M lithium sulfate, 25-30% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |