9X6H

Crystal structure of Bas30_86

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97928
Spacegroup name	P 43 21 2
Unit cell lengths	106.891, 106.891, 311.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.700
R-factor	0.252
Rwork	0.250
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.126
Number of reflections	52448	2374
<I/σ(I)>	9.2
Completeness [%]	92.8
Redundancy	11.3
CC(1/2)	0.928	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	1.0 M magnesium sulfate hydrate, 0.1 M Bis-TRIS propane, pH 7.0