6MQU

PL5, synthetic transmembrane domain variant of human phospholamban

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]	100
Detector technology	PIXEL
Collection date	2017-05-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	I 41
Unit cell lengths	124.230, 124.230, 51.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.840 - 3.170
R-factor	0.229
Rwork	0.228
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.840	3.390
High resolution limit [Å]	3.170	3.170
Rmerge	0.171	0.540
Rpim		0.314
Number of reflections	6819	1212
<I/σ(I)>	6.2	2.7
Completeness [%]	99.0	98.2
Redundancy	3.9	3.9
CC(1/2)		0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	12 MM C8E4, 20MM MGCL HEXAHYDRATE, 25MM NACL, 50 MM HEPES, 16% PEG400, VAPOR DIFFUSION, TEMPERATURE 298K