7A7T

rsGreenF partially in the green-off 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	37.617, 62.263, 48.460
Unit cell angles	90.00, 90.36, 90.00

Refinement procedure

Resolution	48.459 - 1.580
R-factor	0.1638
Rwork	0.162
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX (1.11)
Refinement software	PHENIX (1.11)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.460	48.460	1.610
High resolution limit [Å]	1.580	8.650	1.580
Rmerge	0.054	0.035	0.667
Rmeas	0.058	0.039	0.737
Rpim	0.022	0.016	0.305
Total number of observations	203376
Number of reflections	30705	205	1492
<I/σ(I)>	17.2
Completeness [%]	100.0	99.2	99.9
Redundancy	6.6	5.4	5.9
CC(1/2)	0.999	0.998	0.840

Crystallization Conditions

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