5H1U

Complex structure of TRIM24 PHD-bromodomain and inhibitor 2

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	2015-09-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97846
Spacegroup name	P 1
Unit cell lengths	36.560, 48.568, 123.374
Unit cell angles	86.72, 81.46, 67.90

Refinement procedure

Resolution	33.552 - 1.901
R-factor	0.2275
Rwork	0.225
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h1t
RMSD bond length	0.007
RMSD bond angle	0.906
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.085	0.038	0.445
Number of reflections	56293
<I/σ(I)>	4.1
Completeness [%]	92.0	94.8	89.5
Redundancy	2.5	2.5	2.4
CC(1/2)		0.996	0.872

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