3KPQ
Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.247, 81.910, 109.401 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.510 - 1.840 |
| R-factor | 0.207 |
| Rwork | 0.204 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1syv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.258 |
| 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] | 65.510 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 5.020 | 1.840 |
| Rmerge | 0.063 | 0.026 | 0.376 |
| Number of reflections | 35235 | ||
| <I/σ(I)> | 14.5 | ||
| Completeness [%] | 88.7 | 79.6 | 90.6 |
| Redundancy | 4.3 | 4.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K |
