4YBM

Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)

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	2013-09-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	37.400, 79.820, 131.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.870 - 1.460
R-factor	0.165
Rwork	0.163
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o34
RMSD bond length	0.027
RMSD bond angle	2.189
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.130	1.490
High resolution limit [Å]	1.460	1.460
Rmerge	0.075	1.155
Number of reflections	68336
<I/σ(I)>	12.9	1.6
Completeness [%]	99.2	100
Redundancy	8.2	7.8

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