5U6A
CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-PEG3-MEDITOPE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-12-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.250, 105.170, 117.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.526 - 1.736 |
R-factor | 0.1609 |
Rwork | 0.159 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ioi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.526 | 1.780 |
High resolution limit [Å] | 1.736 | 1.736 |
Rmerge | 0.062 | 0.485 |
Number of reflections | 65702 | |
<I/σ(I)> | 15.6 | 2.24 |
Completeness [%] | 95.6 | 76.5 |
Redundancy | 2.5 | 2 |
CC(1/2) | 0.998 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16% PEG 3350 200 MM NACL, PH 7.2 |