6UNP

Crystal structure of the kinase domain of BMPR2-D485G

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]	80
Detector technology	PIXEL
Collection date	2017-11-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1111
Spacegroup name	P 32 2 1
Unit cell lengths	138.497, 138.497, 109.992
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.990 - 2.300
R-factor	0.1897
Rwork	0.189
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g2f
RMSD bond length	0.008
RMSD bond angle	1.143
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.990	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.151	2.620
Rmeas	0.159	2.752
Rpim	0.049	0.838
Number of reflections	54388	4391
<I/σ(I)>	16.3	1.3
Completeness [%]	100.0	100
Redundancy	20.4	21
CC(1/2)	0.999	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.1 M Na Cacodylate, pH 6.0, 0.3 M Ammonium sulfate, 22% w/v PEG 8000