4YBT

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

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	2013-11-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	90.656, 36.387, 65.840
Unit cell angles	90.00, 111.68, 90.00

Refinement procedure

Resolution	33.400 - 1.820
R-factor	0.169
Rwork	0.167
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o34
RMSD bond length	0.019
RMSD bond angle	1.840
Data scaling software	SCALA (3.3.21)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.181	1.920
High resolution limit [Å]	1.820	1.820
Rmerge		0.648
Number of reflections	18114
<I/σ(I)>	8	1.1
Completeness [%]	99.8	99.9
Redundancy	3.7	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