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) |