6MG6

Crystal structure of carbon-nitrogen hydrolase from Helicobacter pylori G27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 2
Unit cell lengths	137.580, 91.380, 95.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.576 - 2.100
R-factor	0.169
Rwork	0.168
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h8iA as per Morda
RMSD bond length	0.007
RMSD bond angle	0.845
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.576	47.576	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.039	0.017	0.543
Rmeas	0.042	0.019	0.589
Number of reflections	70182	890	5170
<I/σ(I)>	25.59	70.38	3.36
Completeness [%]	99.4	98.8	100
Redundancy	6.543	5.679	6.67
CC(1/2)	1.000	0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Microlytic MCSG1 screen, G8: 25% PEG 3350, 200mM Ammonium sulfate, 100mM Tris Base/HCl pH 8.5: HepyC.18002.a.B1.PS38436 at 19.87mg/ml: cryo: 15% EG: tray 3301220G8: puck eko9-11