4L8B
Crystal structure of the H2Db in complex with the NP-N5H 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 | 2012-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.956 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 90.990, 132.138, 47.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.490 - 2.200 |
R-factor | 0.1994 |
Rwork | 0.198 |
R-free | 0.23190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4huu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data scaling software | SCALA (3.3.12) |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.495 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.804 | |
Number of reflections | 29420 | |
<I/σ(I)> | 3.4 | |
Completeness [%] | 99.3 | 100 |
Redundancy | 7.1 | 7.3 |
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 |