9LHH

Crystal structure of BglB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 21 2 21
Unit cell lengths	90.520, 99.190, 117.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.595 - 2.400
R-factor	0.1968
Rwork	0.194
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.178
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.600	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	41901	3022
<I/σ(I)>	8.5
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.995	0.420

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.1M Sodium acetate trihydrate pH 4.77 10% (w/v) PEG8000