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