8TSZ

Pseudomonas fluorescens G150T-3 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	72.130, 59.660, 56.171
Unit cell angles	90.00, 115.86, 90.00

Refinement procedure

Resolution	35.160 - 1.100
R-factor	0.117
Rwork	0.116
R-free	0.13380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.972
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]	35.160	1.120
High resolution limit [Å]	1.100	1.100
Rmeas	0.057	1.839
Number of reflections	82868	3983
<I/σ(I)>	11.8
Completeness [%]	95.7	93.4
Redundancy	3.6	3.5
CC(1/2)	0.998	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 (DTT)