7V4W
Crystal structure of Antibody 16A in complex with MUC1 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-09-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.557, 63.370, 88.681 |
Unit cell angles | 90.00, 97.12, 90.00 |
Refinement procedure
Resolution | 39.250 - 2.100 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yhy |
RMSD bond length | 0.005 |
RMSD bond angle | 0.841 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.250 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.129 | 0.390 |
Rpim | 0.068 | 0.241 |
Number of reflections | 23401 | 1379 |
<I/σ(I)> | 25.3 | 3.4 |
Completeness [%] | 91.5 | |
Redundancy | 1.8 | 1.3 |
CC(1/2) | 0.964 | 0.544 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | Di-sodium hydrogen phosphate 0.2M, PEG 3350 20% |