8HLK

Structure of McyB-C1A1 complexed with L-Leu and AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-26
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	152.534, 152.534, 135.738
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.150 - 2.700
R-factor	0.21565
Rwork	0.213
R-free	0.26941
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.701
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.150	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.111	1.274
Number of reflections	49972	4592
<I/σ(I)>	17.5
Completeness [%]	99.1
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	3M sodium formate