8YTD
Crystal Structure of TrkA D5 domain in complex with two different macrocyclic peptides
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 | 2020-05-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 50.374, 50.374, 143.959 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.550 - 2.340 |
R-factor | 0.2212 |
Rwork | 0.218 |
R-free | 0.27596 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.369 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.420 |
High resolution limit [Å] | 2.340 | 5.040 | 2.340 |
Rmerge | 0.044 | 0.033 | 0.351 |
Rmeas | 0.047 | 0.037 | 0.372 |
Rpim | 0.016 | 0.014 | 0.121 |
Total number of observations | 78245 | ||
Number of reflections | 8455 | 952 | 802 |
<I/σ(I)> | 20.2 | ||
Completeness [%] | 99.8 | 98.8 | 99.4 |
Redundancy | 9.3 | 8.4 | 9.1 |
CC(1/2) | 0.978 | 0.955 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 25% v/v ethylene glycol |