7LA3

Pseudomonas fluorescens G150A isocyanide hydratase (G150A-3) at 274K, Refmac5-refined

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	P 1 21 1
Unit cell lengths	57.318, 58.245, 69.095
Unit cell angles	90.00, 112.74, 90.00

Refinement procedure

Resolution	39.170 - 1.349
Rwork	0.120
R-free	0.15540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni5
RMSD bond length	0.008
RMSD bond angle	1.466
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.170	1.380
High resolution limit [Å]	1.349	1.349
Rmeas	0.064	1.384
Number of reflections	85576	4083
<I/σ(I)>	6	0.9
Completeness [%]	93.0	90
Redundancy	2.1	2
CC(1/2)	0.998	0.264

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	23% PEG 3350, 100MM TRIS-HCL PH 8.6, 200 MM MAGNESIUM CHLORIDE AND 2 MM DITHIOTHREITOL