7LBH

Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-1) 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	2019-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.775
Spacegroup name	P 1 21 1
Unit cell lengths	57.305, 58.188, 69.015
Unit cell angles	90.00, 112.81, 90.00

Refinement procedure

Resolution	31.810 - 1.150
R-factor	0.1176
Rwork	0.117
R-free	0.14310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni6
RMSD bond length	0.008
RMSD bond angle	0.949
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.110	1.170
High resolution limit [Å]	1.150	1.150
Rmeas	0.058	1.280
Number of reflections	138486	6553
<I/σ(I)>	12.8	1.4
Completeness [%]	93.5	89.3
Redundancy	3.9	3.7
CC(1/2)	0.999	0.483

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