8TSX

Pseudomonas fluorescens G150T isocyanide hydratase at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.775
Spacegroup name	P 1 21 1
Unit cell lengths	55.563, 58.648, 68.869
Unit cell angles	90.00, 110.92, 90.00

Refinement procedure

Resolution	38.870 - 1.000
R-factor	0.1423
Rwork	0.142
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.870	1.020
High resolution limit [Å]	1.000	1.000
Rmeas	0.063	2.850
Number of reflections	218349	10505
<I/σ(I)>	9.3	0.5
Completeness [%]	98.1	95.6
Redundancy	4.7	4.3
CC(1/2)	0.999	0.262

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	298	23% PEG 3350, 200 mM MgCl2, 100 mM Tris-HCl pH=8.8, and 2 mM DTT