5URK

Crystal structure of human BRR2 in complex with T-3935799

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	2016-09-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	145.488, 154.071, 143.509
Unit cell angles	90.00, 120.74, 90.00

Refinement procedure

Resolution	48.672 - 2.950
R-factor	0.2347
Rwork	0.233
R-free	0.27670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.312
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.700
High resolution limit [Å]	2.950
Number of reflections	57073
<I/σ(I)>	12.3
Completeness [%]	99.8
Redundancy	3.4

Crystallization Conditions

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