7V8Q
Crystal structure of antibody 14A in complex with MUC1 Glycopeptide(GlycoT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.890, 207.373, 224.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.630 - 3.200 |
R-factor | 0.2026 |
Rwork | 0.200 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yhy |
RMSD bond length | 0.004 |
RMSD bond angle | 0.860 |
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] | 39.630 | 3.320 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmeas | 0.315 | 0.754 |
Rpim | 0.091 | 0.249 |
Number of reflections | 33766 | 3260 |
<I/σ(I)> | 5 | 2 |
Completeness [%] | 98.4 | |
Redundancy | 6.3 | |
CC(1/2) | 0.989 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | Crystal screen D4=JCSG F7, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000 |