9M3D

Crystal structure of the DgpA1 protein from W974-1 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	2022-02-24
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	118.625, 161.711, 201.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.2018
Rwork	0.202
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.008
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]	126.140	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.137
Number of reflections	260379	25800
<I/σ(I)>	11.5
Completeness [%]	99.9
Redundancy	7.1
CC(1/2)	0.960	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M sodium malonate, pH 6.0 12% w/v PEG3350