7T0R
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 270 |
Detector technology | PIXEL |
Collection date | 2019-03-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 83.510, 164.014, 167.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.530 - 3.650 |
R-factor | 0.2304 |
Rwork | 0.226 |
R-free | 0.29230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o2d |
RMSD bond length | 0.004 |
RMSD bond angle | 0.834 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP (11.6.04) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 3.560 |
High resolution limit [Å] | 3.500 | 9.500 | 3.500 |
Rmerge | 0.196 | 0.037 | 0.792 |
Rmeas | 0.220 | 0.042 | 0.893 |
Rpim | 0.098 | 0.019 | 0.402 |
Number of reflections | 27334 | 1518 | 1148 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 92.2 | 92.5 | 79.8 |
Redundancy | 4.7 | 4.5 | 4.2 |
CC(1/2) | 0.980 | 0.993 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.01 M Na3 Citrate, 15.5% PEG3350, 0.3 M (NH4)2H Citrate, 0.1 M AmSO4 |