5U5F
MEDITOPE ENABLED TRASTUZUMAB I83E VARIANT IN COMPLEX WITH (Ac) CQFDA(PH)2STRRLRCGGSK
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 | 2014-04-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.430, 105.380, 117.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.640 - 1.810 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ioi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.640 | 1.860 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.085 | 0.784 |
Number of reflections | 60655 | |
<I/σ(I)> | 16.1 | 1.66 |
Completeness [%] | 99.4 | 93.7 |
Redundancy | 3.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 50 MM TRIS, PH 7.2, 50 MM NACL, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |