2XRA
crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.947, 62.710, 76.610 |
| Unit cell angles | 90.00, 97.70, 90.00 |
Refinement procedure
| Resolution | 37.630 - 2.300 |
| R-factor | 0.23913 |
| Rwork | 0.237 |
| R-free | 0.27943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cmr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.183 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.350 |
| Number of reflections | 28254 | |
| <I/σ(I)> | 4 | 2.1 |
| Completeness [%] | 93.3 | 89.2 |
| Redundancy | 3.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES PH 7.5, 0.2 M AMMONIUM SULPHATE, 25% PEG 3350 (W/V) |
