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 |
