4YC9

Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	89.839, 35.624, 65.367
Unit cell angles	90.00, 112.07, 90.00

Refinement procedure

Resolution	42.580 - 1.820
R-factor	0.1575
Rwork	0.155
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o34
RMSD bond length	0.019
RMSD bond angle	1.869
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.576	60.576	1.920
High resolution limit [Å]	1.820	5.760	1.820
Rmerge		0.049	0.515
Rmeas	0.111
Rpim	0.056	0.035	0.328
Total number of observations	66226	2256	9528
Number of reflections	17452
<I/σ(I)>	7	14.4	2
Completeness [%]	99.8	99.8	99.5
Redundancy	3.8	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol