7A7W

rsGreen0.7-F145M partially in the green-on state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	31.814, 61.303, 105.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.920 - 1.300
R-factor	0.1296
Rwork	0.128
R-free	0.16450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xow
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.15)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.922	39.920	1.320
High resolution limit [Å]	1.300	6.880	1.300
Rmerge	0.085	0.055	0.394
Rmeas	0.100	0.065	0.464
Rpim	0.051	0.034	0.241
Total number of observations		1369	9519
Number of reflections	51172	402	2712
<I/σ(I)>	9.1	17	3
Completeness [%]	99.2	96.3	99.4
Redundancy	3.6	3.4	3.5
CC(1/2)	0.995	0.995	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM NH4HCO2 20 % PEG 4000