6MB8

Apo structure of AAC-IIIb

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)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	137.256, 163.897, 95.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.985 - 1.600
R-factor	0.1792
Rwork	0.179
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bc3
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	40.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.038	0.016	0.660
Total number of observations	575060
Number of reflections	140647	14488	13949
<I/σ(I)>	21.6
Completeness [%]	99.9	99.8	99.9
Redundancy	4.1	4.2	3.9

Crystallization Conditions

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