6K7P

Crystal structure of human AFF4-THD domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	I 21 21 21
Unit cell lengths	41.411, 79.762, 185.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.417 - 2.400
R-factor	0.2191
Rwork	0.214
R-free	0.26760
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.399	5.170	2.400
Rmerge	0.085	0.065	0.535
Rmeas	0.087	0.067	0.551
Rpim	0.020	0.016	0.133
Number of reflections	12455	1346	1172
<I/σ(I)>	6.3
Completeness [%]	99.6	99.9	96.2
Redundancy	19	18.3	15.9
CC(1/2)		0.998	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	291	0.3 M sodium citrate, 0.1 M sodium citrate-citrate acid pH 4.5, 25% PEG 3350