9NXN

Crystal structure of CN:RII alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	Bruker PHOTON III
Wavelength(s)	1.34
Spacegroup name	P 21 21 21
Unit cell lengths	55.535, 102.982, 107.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.590 - 2.100
R-factor	0.2111
Rwork	0.209
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.399
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.630	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	36938	2601
<I/σ(I)>	7.9	3.3
Completeness [%]	98.8	86.8
Redundancy	9.5	7.1
CC(1/2)	0.986	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1 M sodium citrate pH 5.0, 0.1 M Magnesium chloride hexahydrate, 15% PEG 4000