7Y77

Crystal structure of rice NAL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	89.413, 194.400, 173.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.670 - 2.600
R-factor	0.2262
Rwork	0.224
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF2
RMSD bond length	0.005
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.021	0.248
Rmeas	0.030	0.351
Rpim	0.021	0.248
Number of reflections	46791	4592
<I/σ(I)>	20.36	2.86
Completeness [%]	99.9	99.67
Redundancy	2	2
CC(1/2)	0.999	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	MES, calcium acetate, PEG6000