6UVQ

Crystal structure of Apo AtmM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 2 1
Unit cell lengths	69.463, 52.997, 70.842
Unit cell angles	90.00, 93.34, 90.00

Refinement procedure

Resolution	42.411 - 1.840
R-factor	0.1827
Rwork	0.181
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bus
Data reduction software	DIALS (1.8.2-g5331de77-release)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.16)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.030	51.030	1.890
High resolution limit [Å]	1.840	8.230	1.840
Rmerge	0.086	0.043	0.757
Rmeas	0.103	0.053	0.977
Rpim	0.057	0.030	0.609
Total number of observations	132128	1670	5296
Number of reflections	43534	552	2538
<I/σ(I)>	6.6	12.8	1
Completeness [%]	97.0	99.2	76.9
Redundancy	3	3	2.1
CC(1/2)	0.993	0.997	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.20M Magnesium acetate, PEG3350 and 2Deoxyadenosine 5triphosphate disodium salt , Benzidine, Carnitine hydrochloride, Sulfanilamide, Cytosine and 0.02M HEPES sodium pH 6.8