7E2A

GDPD mutant 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	46.890, 69.600, 89.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.450 - 2.080
R-factor	0.1873
Rwork	0.185
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oec
RMSD bond length	0.014
RMSD bond angle	1.230
Data reduction software	Aimless
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.450	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.110
Rpim	0.045
Number of reflections	18312	1340
<I/σ(I)>	14.7
Completeness [%]	99.9
Redundancy	12.9
CC(1/2)	0.998	0.831

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