9FEK

Crystal structure of guanidinase from Nitrospira inopinata

Replaces:  8C0H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	98.965, 164.791, 143.965
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	45.010 - 1.580
R-factor	0.1999
Rwork	0.200
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5184: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.010	2.730	1.636
High resolution limit [Å]	1.580	2.700	1.580
Rmerge	0.106	0.922	1.191
Rmeas	0.132	1.082	1.506
Rpim	0.077	0.562	0.908
Number of reflections	583936	10377	53686
<I/σ(I)>	4.66	0.89	0.56
Completeness [%]	92.9	94.07	85.24
Redundancy	2.3	3.6	2.1
CC(1/2)	0.991	0.588	0.256

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295.15	0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4
2	VAPOR DIFFUSION, SITTING DROP	5.6	295.15	0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4
3	VAPOR DIFFUSION, SITTING DROP	5.6	295.15	0.5 M (NH4)2SO4, 0.1 M Na3 Citrate pH 5.6, 1 M Li2SO4