6E53
Structure of TERT in complex with a novel telomerase inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-18 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.020, 52.100, 100.480 |
Unit cell angles | 90.00, 98.45, 90.00 |
Refinement procedure
Resolution | 19.986 - 2.800 |
R-factor | 0.2331 |
Rwork | 0.230 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kyl |
RMSD bond length | 0.005 |
RMSD bond angle | 0.885 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 20467 | 1608 |
<I/σ(I)> | 13.26 | |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 20 | 18 |
CC(1/2) | 0.997 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M HEPES, pH 7.5, 8% PEG8000, 0.1 M potassium chloride |