7L99

Crystal structure of BRDT bromodomain 2 in complex with CDD-1302

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	47.230, 61.970, 99.190
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	44.550 - 1.900
R-factor	0.172
Rwork	0.170
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l9a
RMSD bond length	0.006
RMSD bond angle	0.915
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.550	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.087	1.083
Number of reflections	44413	4301
<I/σ(I)>	8.24
Completeness [%]	98.2
Redundancy	2
CC(1/2)	0.986	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.1 M sodium malonate, 0.1 M HEPES pH 7.0, 0.5 % v/v Jeffamine ED-2001