6NI4

Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	277
Detector technology	CCD
Collection date	2015-03-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9753
Spacegroup name	C 1 2 1
Unit cell lengths	72.110, 59.744, 56.125
Unit cell angles	90.00, 115.86, 90.00

Refinement procedure

Resolution	35.144 - 1.100
R-factor	0.1108
Rwork	0.110
R-free	0.12830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3non
RMSD bond length	0.011
RMSD bond angle	1.376
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.500	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.035	0.460
Rmeas	0.042	0.590
Rpim	0.022	0.365
Number of reflections	84284	8284
<I/σ(I)>	9.7	1.4
Completeness [%]	97.2	95.9
Redundancy	2.7	2
CC(1/2)	0.999	0.715

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 DTT