7WZG

Cypemycin N-terminal methyltransferase CypM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	245.111, 245.111, 81.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.090 - 2.000
R-factor	0.1967
Rwork	0.195
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	BALBES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.161
Number of reflections	121720	7270
<I/σ(I)>	14.2
Completeness [%]	90.4
Redundancy	1.6
CC(1/2)	0.988	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Final optimized conditions for YunM with SAM contained 1800 mM Ammonium sulfate, 100 mM CAPS/ Sodium hydroxide pH 10.4, 100 mM Lithium sulfate, and yielded square crystals.