8Z73

Crystal Structure of AF9 in complex with H3K9la peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	116.587, 116.587, 168.824
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.964 - 2.906
R-factor	0.1968
Rwork	0.196
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmp
RMSD bond length	0.010
RMSD bond angle	1.127
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3247: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.106	0.044	0.783
Rmeas	0.115	0.047	0.850
Rpim	0.043	0.017	0.324
Total number of observations	202935
Number of reflections	29694	1556	1456
<I/σ(I)>	7.9
Completeness [%]	99.5	95.8	100
Redundancy	6.8	6.8	6.8
CC(1/2)	0.995	0.998	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2.4M Sodium Malonate