4YAB

Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)

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	2012-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	88.640, 36.950, 128.921
Unit cell angles	90.00, 110.03, 90.00

Refinement procedure

Resolution	60.560 - 1.900
R-factor	0.164
Rwork	0.161
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o34
RMSD bond length	0.018
RMSD bond angle	1.794
Data reduction software	iMOSFLM
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]	60.560	60.560	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.087	0.031	0.747
Rpim	0.037	0.013	0.317
Total number of observations	180291	2154	11521
Number of reflections	29120
<I/σ(I)>	12.8	32.2	2.2
Completeness [%]	92.7	99.6	88.8
Redundancy	6.2	6.6	6.4
CC(1/2)	0.998	0.999	0.802

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