8YTE
Crystal Structure of TrkA D5 domain in complex with macrocyclic peptide
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 | 2018-12-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.680, 66.972, 79.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.260 |
R-factor | 0.19891 |
Rwork | 0.197 |
R-free | 0.24947 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wwa |
RMSD bond length | 0.007 |
RMSD bond angle | 1.235 |
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 | 2.340 |
High resolution limit [Å] | 2.260 | 4.870 | 2.260 |
Rmerge | 0.055 | 0.029 | 0.302 |
Rmeas | 0.061 | 0.033 | 0.340 |
Rpim | 0.027 | 0.015 | 0.154 |
Total number of observations | 67505 | ||
Number of reflections | 13490 | 1471 | 1328 |
<I/σ(I)> | 12.7 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 5 | 4.8 | 4.7 |
CC(1/2) | 0.998 | 0.996 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M Tris pH 8.5, , 25% w/v Polyethylene glycol 3,350, 0.2 M ammonium acetate |