6RAS

Pmar-Lig_Pre.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	67.469, 103.408, 68.906
Unit cell angles	90.00, 90.91, 90.00

Refinement procedure

Resolution	24.366 - 2.750
R-factor	0.1904
Rwork	0.188
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Home-made
RMSD bond length	0.017
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.820
High resolution limit [Å]	2.690	2.690
Rmerge	0.129	1.160
Rpim	0.089	0.602
Number of reflections	24531	3459
<I/σ(I)>	9.5	1.3
Completeness [%]	99.4	99.6
Redundancy	5.6
CC(1/2)	0.995	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	PEG, buffer