6BC6

Cryo X-ray structure of apo AAC-VIa

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	2016-05-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	89.010, 85.981, 51.134
Unit cell angles	90.00, 119.98, 90.00

Refinement procedure

Resolution	30.849 - 2.200
R-factor	0.238
Rwork	0.236
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sma
RMSD bond length	0.002
RMSD bond angle	0.482
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.084	0.057	0.504
Total number of observations	37319
Number of reflections	15393	1425	1597
<I/σ(I)>	18.4
Completeness [%]	90.5	82.1	94.7
Redundancy	2.4	2.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	285	0.1 M Tris, pH 8.5, 15-20% PEG8000, 0.3 M magnesium chloride