5T6P
Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-07 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97949 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.700, 69.700, 363.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.437 - 1.970 |
R-factor | 0.2228 |
Rwork | 0.221 |
R-free | 0.23240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hgw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.831 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.440 | 1.960 | |
High resolution limit [Å] | 1.910 | 8.540 | 1.910 |
Rmerge | 0.118 | 0.070 | 0.765 |
Number of reflections | 81198 | ||
<I/σ(I)> | 11.34 | 21.23 | 2.86 |
Completeness [%] | 99.7 | 93.6 | 98.8 |
Redundancy | 10 | ||
CC(1/2) | 0.996 | 0.993 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 20000 |