6G48

Sporosarcina pasteurii urease inhibited by silver

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	2018-03-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 63 2 2
Unit cell lengths	131.088, 131.088, 189.059
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.430 - 1.910
R-factor	0.16905
Rwork	0.167
R-free	0.20894
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4h
RMSD bond length	0.014
RMSD bond angle	1.625
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC (5.8.0049)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.430	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.130	1.622
Rmeas	0.150	1.820
Rpim	0.050	0.590
Number of reflections	74481	4553
<I/σ(I)>	13	1.5
Completeness [%]	99.7	100
Redundancy	9.1	9.3
CC(1/2)	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	50 mM citrate buffer pH 6.3, 1.8 M ammonium sulfate, 3e-4 M silver nitrate