7XBU

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

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	77.040, 77.040, 192.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.580 - 2.350
R-factor	0.2099
Rwork	0.207
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xbt
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	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	23853	2269
<I/σ(I)>	19.2	2.925
Completeness [%]	95.3	93.2
Redundancy	11.3	10.2
CC(1/2)	0.955	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% w/v PEG monomethyl ether 550, and 100 mM Bis-Tris propane, pH 9.0.