6MB6

AAC-IIIb binary with CoASH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-08-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	83.797, 80.741, 103.546
Unit cell angles	90.00, 108.42, 90.00

Refinement procedure

Resolution	39.753 - 2.250
R-factor	0.208
Rwork	0.206
R-free	0.24620
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	10.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.099	0.036	0.671
Total number of observations	167223
Number of reflections	58550	6132	5623
<I/σ(I)>	10.6
Completeness [%]	93.7	95.9	90.6
Redundancy	2.9	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	283	3.0M sodium formate, 10-20% glycerol