6RIV

Crystal structure of Alopecurus myosuroides GSTF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1
Unit cell lengths	50.289, 50.708, 51.603
Unit cell angles	97.74, 110.24, 110.96

Refinement procedure

Resolution	46.200 - 1.330
R-factor	0.1325
Rwork	0.131
R-free	0.16340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aw9
RMSD bond length	0.012
RMSD bond angle	1.541
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.350
High resolution limit [Å]	1.330	1.330
Rmeas	0.054	0.693
Rpim	0.029
Number of reflections	93011	1536
<I/σ(I)>	17	1.7
Completeness [%]	94.9	32
Redundancy	6.8	2.9
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1M SPG, pH 5; 25% w/v PEG 1500