7F0C

Crystal structure of capreomycin phosphotransferase in complex with CMN IIA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	80
Detector technology	CCD
Collection date	2020-12-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9732
Spacegroup name	P 42 2 2
Unit cell lengths	92.355, 92.355, 119.164
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.060 - 2.070
R-factor	0.2191
Rwork	0.217
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f0a
RMSD bond length	0.006
RMSD bond angle	1.413
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.070	2.070
Number of reflections	32042	3156
<I/σ(I)>	58.4	3.66
Completeness [%]	99.9
Redundancy	9.6
CC(1/2)	0.977	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.4 M sodium malonate pH 7.0, 0.1 M Bis-Tris propane pH 7.0, 0.1 M calcium chloride dihydrate