7XBT

Crystal structure of the adenylation domain of CmnG in complex with AMP

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	2021-06-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	77.451, 77.451, 192.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.180 - 1.840
R-factor	0.1985
Rwork	0.197
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xbs
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	1.910
High resolution limit [Å]	1.840	1.840
Number of reflections	51783	5095
<I/σ(I)>	28.79	3.54
Completeness [%]	99.5	100
Redundancy	8.1	8.3
CC(1/2)	0.977	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% w/v PEG-1000, and 100 mM HEPES, pH 7.5.