5HJD

AF9 YEATS in complex with histone H3 Crotonylation at K18

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-01
Detector	MARRESEARCH
Wavelength(s)	0.98 - 1
Spacegroup name	P 1 21 1
Unit cell lengths	91.264, 101.573, 102.076
Unit cell angles	90.00, 103.06, 90.00

Refinement procedure

Resolution	48.290 - 2.806
R-factor	0.2433
Rwork	0.242
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tmp
RMSD bond length	0.004
RMSD bond angle	0.844
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.116	0.062	0.880
Total number of observations	321423
Number of reflections	49686
<I/σ(I)>	9.8
Completeness [%]	98.3	99.3	98.1
Redundancy	3.8	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	20%(w/v) polyethylene glycol 4000, 0.2 M ammonium sulfate, 0.1 M sodium citrate tribasic dihydrate, 0.1 M copper chloride dihydrate