2CMR
Crystal structure of the HIV-1 neutralizing antibody D5 Fab bound to the gp41 inner-core mimetic 5-helix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-21 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 201.644, 41.618, 90.726 |
Unit cell angles | 90.00, 110.55, 90.00 |
Refinement procedure
Resolution | 33.520 - 2.000 |
R-factor | 0.212 |
Rwork | 0.209 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aik |
RMSD bond length | 0.014 |
RMSD bond angle | 1.426 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.500 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.110 | 0.510 |
Number of reflections | 41190 | |
<I/σ(I)> | 8 | 1.7 |
Completeness [%] | 90.0 | 90 |
Redundancy | 2.6 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 18% (W/V) PEG 4000, 0.2 M TRI-SODIUM CITRATE DIHYDRATE, 0.1 M TRIS-HCL / PH = 8.5 |