7A7S

rsGreenF in the green-on state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-28
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	37.333, 61.968, 46.779
Unit cell angles	90.00, 91.71, 90.00

Refinement procedure

Resolution	46.758 - 1.730
R-factor	0.2019
Rwork	0.200
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xow
RMSD bond length	0.004
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.760	46.760	1.760
High resolution limit [Å]	1.730	8.990	1.730
Rmerge	0.058	0.044	0.631
Rmeas	0.063	0.049	0.685
Rpim	0.024	0.021	0.263
Total number of observations	147910
Number of reflections	22182	175	1195
<I/σ(I)>	16.3
Completeness [%]	99.4	99.4	99.1
Redundancy	6.7	5.9	6.7
CC(1/2)	0.998	0.996	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MIB pH 4.0 25 % PEG 1500