9SJI

Crystal structure of SGBPdex (BT3088) with truncated residues 1-147

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.89842
Spacegroup name	C 1 2 1
Unit cell lengths	148.321, 37.549, 65.616
Unit cell angles	90.00, 100.34, 90.00

Refinement procedure

Resolution	36.477 - 1.700
Rwork	0.198
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.214
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.480	36.480	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.088	0.034	2.063
Rmeas	0.103	0.039	2.424
Rpim	0.054	0.020	1.264
Number of reflections	39600	306	2069
<I/σ(I)>	8	30.2	0.7
Completeness [%]	100.0	99.1	100
Redundancy	6.8	6.4	7
CC(1/2)	0.998	0.997	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	MPD 1k 3350 35.5% w/v 200mM amino acid stock 100mM System 2 buffer (0.1M HEPES sodium salt and 0.1M MOPS at pH 7.5) pH 7.5