7ESR

Crystal structure of Synechocystis sp PCC6803 guanidinium hydrolase (R32)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-12-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	H 3 2
Unit cell lengths	140.700, 140.700, 95.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.970 - 1.420
R-factor	0.1322
Rwork	0.132
R-free	0.14760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nio
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.970	1.430
High resolution limit [Å]	1.420	1.420
Number of reflections	67577	1320
<I/σ(I)>	15.24	1.03
Completeness [%]	99.0
Redundancy	9.4
CC(1/2)	0.999	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.06 M (0.3M magnesium chloride hexahydrate, 0.3M calcium chloride dehydrate), 0.1M (1M HEPES; MOPS) pH7.5, 30 % [v/v] (40% [v/v] ethylene glycol, 20% [w/v] PEG 8000)