7L9Z

Pseudomonas fluorescens G150A isocyanide hydratase (G150A-1) 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	57.249, 58.133, 69.087
Unit cell angles	90.00, 112.78, 90.00

Refinement procedure

Resolution	39.109 - 1.300
Rwork	0.119
R-free	0.14630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni5
RMSD bond length	0.007
RMSD bond angle	1.434
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]	39.110	1.320
High resolution limit [Å]	1.300	1.300
Rmeas	0.057	1.259
Number of reflections	100703	4869
<I/σ(I)>	10.4
Completeness [%]	98.0	95.8
Redundancy	2.9	2.8
CC(1/2)	0.998	0.405

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