9M3A

Crystal structure of the DgpB2/C2 complex from W974-1 in substrate free form

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	2023-02-08
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	104.336, 131.813, 155.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.810 - 2.230
R-factor	0.2121
Rwork	0.211
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.810	2.300
High resolution limit [Å]	2.230	2.230
Rmerge	0.060
Number of reflections	100407	7414
<I/σ(I)>	12.4
Completeness [%]	99.8
Redundancy	5.3
CC(1/2)	0.780	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.22 M sodium formate 20% w/v PEG3350