7Y5F

Crystal structure of CmnC in complex with L-homoarginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9732
Spacegroup name	I 2 2 2
Unit cell lengths	93.344, 127.514, 139.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.890 - 1.520
R-factor	0.1811
Rwork	0.180
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vgl
RMSD bond length	0.007
RMSD bond angle	1.385
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	1.580
High resolution limit [Å]	1.520	1.520
Rmerge	0.035	0.369
Number of reflections	123057	11857
<I/σ(I)>	31.9	2.79
Completeness [%]	98.8	95.5
Redundancy	4.5	4.4
CC(1/2)		0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2M Ammonium acetate, 0.1M Na citrate tribasic dihydrate pH 5.5, 24% v/v Polyethylene glycol 400