8FJN

Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - C2221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	57.842, 59.423, 169.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.490 - 2.100
R-factor	0.1836
Rwork	0.182
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.588
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.490	2.180
High resolution limit [Å]	2.100	2.100
Rpim	0.058	0.372
Number of reflections	16832	1354
<I/σ(I)>	12.9
Completeness [%]	95.9	78.2
Redundancy	4.3	3.4
CC(1/2)	0.967	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	30% (w/v) PEG 8,000, 200 mM calcium acetate, 100 mM MES-NaOH, pH 6.0