1RHH
Crystal Structure of the Broadly HIV-1 Neutralizing Fab X5 at 1.90 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-07-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.009 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 139.600, 139.600, 120.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.900 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fct |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.460 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 0.498 * |
| Number of reflections | 93615 | |
| <I/σ(I)> | 39.7 | 3.2 |
| Completeness [%] | 100.0 * | 99.9 |
| Redundancy | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | 17-19 * | PEG400, HEPES, 1,2-propanediol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 50 (mM) | pH7.4 |
| 2 | 1 | drop | protein | 10 (mg/ml) | |
| 3 | 1 | reservoir | 1,2-propanediol | 30 (%) | |
| 4 | 1 | reservoir | PEG400 | 20 (%) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
