7LDO

G150T Pseudomonas fluorescens isocyanide hydratase (G150T-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	I 1 2 1
Unit cell lengths	56.295, 59.717, 69.504
Unit cell angles	90.00, 110.88, 90.00

Refinement procedure

Resolution	35.200 - 1.100
R-factor	0.1187
Rwork	0.118
R-free	0.13630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ni4
RMSD bond length	0.009
RMSD bond angle	1.018
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]	35.220	1.120
High resolution limit [Å]	1.100	1.100
Rmeas	0.057	1.839
Number of reflections	82868	3983
<I/σ(I)>	11.8	1
Completeness [%]	95.7	93.4
Redundancy	3.6	3.5
CC(1/2)	0.998	0.334

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