7CT8

Crystal structure of apo CmoB from Vibrio Vulnificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	136.121, 89.896, 88.711
Unit cell angles	90.00, 114.76, 90.00

Refinement procedure

Resolution	48.420 - 2.100
R-factor	0.1811
Rwork	0.179
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qnx
RMSD bond length	0.008
RMSD bond angle	1.522
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	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.110	0.062	1.054
Rmeas	0.119	0.068	1.148
Rpim	0.046	0.026	0.446
Total number of observations	370749
Number of reflections	56139	2881	2769
<I/σ(I)>	5
Completeness [%]	99.0	98.5	98.7
Redundancy	6.6	6.7	6.1
CC(1/2)		0.997	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium acetate trihydrate, Sodium formate