7ZKH

C-Methyltransferase PsmD from Streptomyces griseofuscus with bound cofactor (crystal form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	64.190, 95.990, 40.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.360 - 1.400
R-factor	0.1598
Rwork	0.158
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wzn
RMSD bond length	0.008
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.360	1.440
High resolution limit [Å]	1.400	1.400
Rmeas	0.042	2.005
Number of reflections	49285	3292
<I/σ(I)>	22.73	0.93
Completeness [%]	98.6	89.7
Redundancy	8.2	5.94
CC(1/2)	1.000	0.402

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	PEG 1000, Tris-HCl