2HP4
Computational design and crystal structure of an enhanced affinity mutant human CD8-alpha-alpha co-receptor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-21 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 64 |
| Unit cell lengths | 99.723, 99.723, 55.806 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.185 - 2.100 |
| R-factor | 0.18464 |
| Rwork | 0.182 |
| R-free | 0.23316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cd8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.253 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (CCP4_3.2.5) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.185 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.149 | 0.620 |
| Number of reflections | 19090 | |
| <I/σ(I)> | 8.95 | 2.04 |
| Completeness [%] | 98.5 | 94.84 |
| Redundancy | 4.17 | 3.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 291 | 25.5% PEG 8000, 0.085M Sodium Cacodylate, 0.17M Ammonium Sulphate, 15% Glycerol, 3% Ethylene Glycol, pH 6.50, VAPOR DIFFUSION, temperature 291K |
