5H1V

Complex structure of TRIM24 PHD-bromodomain and inhibitor 6

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	2016-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	50.028, 36.027, 113.207
Unit cell angles	90.00, 96.88, 90.00

Refinement procedure

Resolution	37.464 - 2.002
R-factor	0.1825
Rwork	0.180
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h1t
RMSD bond length	0.006
RMSD bond angle	0.757
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	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.079	0.053	0.397
Rmeas	0.090	0.060	0.447
Rpim	0.041	0.027	0.202
Total number of observations	126161
Number of reflections	27040
<I/σ(I)>	6.5
Completeness [%]	98.6	98.6	98.6
Redundancy	4.7	4.6	4.7
CC(1/2)		0.997	0.926

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