8JKO

T95R mutant IRF4 DNA-binding domain bound to an DNA containing GATA motif

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	2023-04-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9752
Spacegroup name	P 31 2 1
Unit cell lengths	116.766, 116.766, 153.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.010 - 2.950
R-factor	0.2318
Rwork	0.231
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8jkl
RMSD bond length	0.004
RMSD bond angle	1.208
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.177	0.105	2.053
Rmeas	0.182	0.108	2.105
Rpim	0.041	0.026	0.464
Total number of observations	522535
Number of reflections	26068	1421	1288
<I/σ(I)>	2.9
Completeness [%]	100.0	100	100
Redundancy	20	17.9	20.4
CC(1/2)	0.933	0.998	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M MgCl2, 0.1 M sodium citrate (pH 5.0) and 15% (w/v) PEG 4000