2YYN

Crystal structure of human bromodomain protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-21
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9792, 0.9797, 0.964
Spacegroup name	P 21 21 21
Unit cell lengths	75.855, 76.160, 107.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.080 - 2.500
R-factor	0.239
Rwork	0.239
R-free	0.28500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.630
High resolution limit [Å]	2.500	2.500
Number of reflections	40227
<I/σ(I)>	31.1	3.69
Completeness [%]	99.9	100
Redundancy	7.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K