4YAD

Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)

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	2013-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	89.350, 36.950, 129.280
Unit cell angles	90.00, 110.03, 90.00

Refinement procedure

Resolution	60.730 - 1.730
R-factor	0.177
Rwork	0.176
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o34
RMSD bond length	0.020
RMSD bond angle	2.051
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.730	60.730	1.760
High resolution limit [Å]	1.730	8.990	1.730
Rmerge	0.107	0.073	0.604
Rpim	0.063	0.042	0.353
Total number of observations	160235	1223	8772
Number of reflections	41834
<I/σ(I)>	8.8	16.9	2.2
Completeness [%]	99.7	99.1	100
Redundancy	3.8	3.7	3.9
CC(1/2)	0.988	0.991	0.785

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