7E2B

GDPD mutant complex from Pyrococcus furiosus DSM 3638

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	46.920, 70.120, 90.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.830 - 1.850
R-factor	0.1843
Rwork	0.181
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oec
RMSD bond length	0.014
RMSD bond angle	1.369
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.120	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.124
Rpim	0.053
Number of reflections	26190	1875
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	11.6
CC(1/2)	0.997	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Hepes (pH 7.5), 25% w/v PEG3350, 0.2M Ammonium sulfate