6NI7

Pseudomonas fluorescens isocyanide hydratase at 277 K

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	2015-03-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97534
Spacegroup name	P 1 21 1
Unit cell lengths	57.154, 57.965, 69.092
Unit cell angles	90.00, 112.77, 90.00

Refinement procedure

Resolution	38.532 - 1.150
R-factor	0.1139
Rwork	0.113
R-free	0.13530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3non
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.870	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.051	0.766
Rmeas	0.059	0.959
Rpim	0.029	0.569
Number of reflections	145885	6657
<I/σ(I)>	12.5	0.8
Completeness [%]	98.9	91.2
Redundancy	3.5	2.3
CC(1/2)	0.999	0.488

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 dithiotheritol