7LDB

G150A Pseudomonas fluorescens isocyanide hydratase (G150A-3) at 274K, Phenix-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	34.630 - 1.350
R-factor	0.1203
Rwork	0.119
R-free	0.15350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni5
RMSD bond length	0.008
RMSD bond angle	0.987
Data reduction software	autoXDS
Data scaling software	Aimless
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.170	1.380
High resolution limit [Å]	1.350	1.350
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	25% PEG 3350, 200 MM MAGNESIUM CHLORIDE, 100MM TRIS-HCL, PH 8.6, 2 MM Dithiothreitol