7CT9

Crystal structure of SAH bound CmoB from Vibrio Vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	182.535, 50.462, 104.791
Unit cell angles	90.00, 122.97, 90.00

Refinement procedure

Resolution	30.410 - 2.300
R-factor	0.1746
Rwork	0.172
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qnx
RMSD bond length	0.010
RMSD bond angle	1.544
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.119	0.048	0.828
Rmeas	0.138	0.057	0.959
Rpim	0.069	0.030	0.478
Total number of observations	147619
Number of reflections	36969	1937	1818
<I/σ(I)>	6.8
Completeness [%]	99.9	99.1	99.9
Redundancy	4	3.7	3.9
CC(1/2)		0.995	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium malonate, PEG 3350