3NON

Crystal Structure of Isocyanide Hydratase from Pseudomonas fluorescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-24
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	56.576, 56.466, 68.233
Unit cell angles	90.00, 112.49, 90.00

Refinement procedure

Resolution	37.000 - 1.050
R-factor	0.139
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p5f
RMSD bond length	0.006
RMSD bond angle	0.020
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	1.090
High resolution limit [Å]	1.050	1.050
Rmerge	0.070	0.700
Number of reflections	179412
<I/σ(I)>	22.8	2.1
Completeness [%]	97.1	94.2
Redundancy	6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.6	298	24-26% PEG 3350, 200-250 mM magnesium chloride, 100 mM Tris-HCl pH=8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K