1YYL
crystal structure of CD4M33, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 gp120 envelope glycoprotein and anti-HIV-1 antibody 17b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-05 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.516, 157.841, 109.920 |
Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.750 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rzk |
RMSD bond length | 0.248 |
RMSD bond angle | 2.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.126 | 0.278 |
<I/σ(I)> | 8.2 | 1.5 |
Completeness [%] | 91.8 | 46.4 |
Redundancy | 5 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | PEG 4000, isopropanol, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |