5X62

Crystal structure of a carnosine N-methyltransferase bound by AdoHcy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	71.537, 72.902, 175.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.443 - 2.204
R-factor	0.206
Rwork	0.204
R-free	0.24280
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.118	1.052
Number of reflections	47093	4653
<I/σ(I)>	16.5	1.94
Completeness [%]	99.9	100
Redundancy	7.2	7.4
CC(1/2)		0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	30-35% PEG 400, 0.1 M NaOAc, 0.1 M NaCl