6L5Z

Crystal strucutre of AF9 YEATS domain in complex with a cyclopeptide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-11
Detector	MAR CCD 130 mm
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	106.240, 106.240, 45.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.780 - 3.050
R-factor	0.1937
Rwork	0.190
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmp
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.098	0.049	0.800
Rmeas	0.103	0.052	0.844
Rpim	0.033	0.018	0.269
Total number of observations	56564
Number of reflections	5816	320	277
<I/σ(I)>	6.4
Completeness [%]	99.8	98.8	100
Redundancy	9.7	8.7	9.6
CC(1/2)		0.997	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% (w/v)PEG 3350,0.2M Ammonium Nitrate