5URJ

Crystal structure of human BRR2 in complex with T-3905516

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	144.909, 153.954, 142.474
Unit cell angles	90.00, 120.50, 90.00

Refinement procedure

Resolution	48.458 - 2.750
R-factor	0.2398
Rwork	0.237
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.008
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.500
High resolution limit [Å]	2.750
Number of reflections	69425
<I/σ(I)>	15.6
Completeness [%]	99.4
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.25-1.5M sodium malonate, 100mM sodium citrate pH 5.0-5.3, 10mg/ml BRR2