7PD7

Crocagin methyl transferase CgnL

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	2020-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	40.947, 128.117, 94.295
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	47.150 - 1.960
R-factor	0.1872
Rwork	0.185
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e23
RMSD bond length	0.012
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.150	2.000
High resolution limit [Å]	1.960	1.960
Number of reflections	69598	4446
<I/σ(I)>	8.1	1
Completeness [%]	100.0
Redundancy	9.2
CC(1/2)	0.997	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12 M Monosaccharides (D-Glucose, D-Mannose, D-Galactose, L-Fucose, D-Xylose, N-Acetyl-D-Glucosamine) 0.1 M Buffer System 1 (Imidazole, MES monohydrate) pH 6.5 37.5 % v/v Precipitant Mix 4 (12.5% each of MPD (v/v), PEG 1000 (w/v), PEG 3350 (w/v))