9LMN

Crystal structure of a polyketide ABM/SchA-like domain-containing protein WhiE-ORFI from Streptomyces coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.980
Spacegroup name	P 21 21 21
Unit cell lengths	75.820, 75.850, 142.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.630 - 2.300
R-factor	0.2397
Rwork	0.238
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.840
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.158	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	36966	2628
<I/σ(I)>	13.6
Completeness [%]	99.7
Redundancy	12.7
CC(1/2)	0.998	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291.15	0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium acetate trihydrate, 0.1 M Bis-Tris, 15% v/v PEG Smear Broad at pH 6.5