5H1T

Complex structure of TRIM24 PHD-bromodomain and inhibitor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1
Unit cell lengths	36.725, 48.612, 123.454
Unit cell angles	86.56, 81.47, 67.81

Refinement procedure

Resolution	31.399 - 1.951
R-factor	0.1794
Rwork	0.177
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o33
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.089	0.048	0.542
Number of reflections	52566
<I/σ(I)>	5.3
Completeness [%]	92.4	92.4	91
Redundancy	3.7	3.7	3.4
CC(1/2)		0.996	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate