8TSY

Pseudomonas fluorescens G150T-2 isocyanide hydratase at 274 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	274
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.775
Spacegroup name	C 1 2 1
Unit cell lengths	72.202, 59.725, 56.373
Unit cell angles	90.00, 115.88, 90.00

Refinement procedure

Resolution	35.210 - 1.200
R-factor	0.1185
Rwork	0.117
R-free	0.13710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.210	1.220
High resolution limit [Å]	1.200	1.200
Rmeas	0.078	2.243
Number of reflections	66132	3293
<I/σ(I)>	7.3	1.1
Completeness [%]	98.3	95.8
Redundancy	3.8	3.5
CC(1/2)	0.997	0.334

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	23% polyethylene glycol (PEG) 3350, 100mM Tris-HCl, pH 8.6, 200mM magnesium chloride, and 2mM dithiothreitol