7LBI

Wild-type Pseudomonas fluorescens isocyanide hydratase (WT-2) 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	57.297, 58.215, 69.052
Unit cell angles	90.00, 112.83, 90.00

Refinement procedure

Resolution	34.580 - 1.200
R-factor	0.1217
Rwork	0.121
R-free	0.15260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni6
RMSD bond length	0.006
RMSD bond angle	0.898
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]	38.670	1.220
High resolution limit [Å]	1.200	1.200
Rmeas	0.068	1.768
Number of reflections	127238	6125
<I/σ(I)>	6.8	0.8
Completeness [%]	97.4	94.3
Redundancy	2.7	2.5
CC(1/2)	0.998	0.257

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