8IF7

Crystal structure of CmnB

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	2022-07-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 43
Unit cell lengths	64.649, 64.649, 84.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.910 - 2.200
R-factor	0.18345
Rwork	0.181
R-free	0.22532
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.366
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.039	0.022	0.411
Rmeas	0.042	0.023	0.439
Rpim	0.015	0.008	0.153
Number of reflections	17474	1794	1717
<I/σ(I)>	21
Completeness [%]	99.0	98.5	98.3
Redundancy	8.3	7.7	8
CC(1/2)	1.000	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20 mM Tris pH8.0