7XBS

Crystal structure of the adenylation domain of CmnG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	77.410, 77.410, 191.664
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.370 - 1.640
R-factor	0.2059
Rwork	0.205
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ea3
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.700
High resolution limit [Å]	1.640	1.640
Number of reflections	72342	7125
<I/σ(I)>	38.24	4
Completeness [%]	99.9	100
Redundancy	8.5	8.4
CC(1/2)	0.980	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% w/v PEG-400, and 100 mM CHES/Sodium hydroxide, pH 9.5