8PME

Structure of Nal1 indica cultivar IR64, construct 88-458

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 21
Unit cell lengths	79.279, 103.735, 143.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.150
R-factor	0.1957
Rwork	0.194
R-free	0.23460
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.773
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.063	2.185
High resolution limit [Å]	2.148	2.148
Rmerge	0.087	1.545
Rmeas	0.090	1.625
Rpim	0.025	0.493
Number of reflections	47522	2377
<I/σ(I)>	22	1.5
Completeness [%]	92.5	70.6
Redundancy	13
CC(1/2)	0.999	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M Sodium Hepes-MOPS 0.1M Morpheus Carboxylic acids 37.5% MPD_P1K_P3350 12% 1,6-hexanediol