7F0F

Crystal structure of capreomycin phosphotransferase in complex with CMN IIB

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	92.101, 92.101, 119.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.150 - 2.100
R-factor	0.1891
Rwork	0.186
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f0a
RMSD bond length	0.014
RMSD bond angle	1.926
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	30103	2918
<I/σ(I)>	49.02	3.45
Completeness [%]	98.5
Redundancy	6.8
CC(1/2)	0.976	0.897

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