9MXN

Pseudomonas fluorescens isocyanide hydratase, pH=6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.72929
Spacegroup name	P 1 21 1
Unit cell lengths	56.755, 56.634, 68.363
Unit cell angles	90.00, 112.47, 90.00

Refinement procedure

Resolution	37.930 - 0.890
R-factor	0.1212
Rwork	0.121
R-free	0.13450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.480	0.900
High resolution limit [Å]	0.890	0.890
Rmeas	0.058	2.459
Number of reflections	299145	12835
<I/σ(I)>	14	0.7
Completeness [%]	97.8	85.3
Redundancy	7.6	5.7
CC(1/2)	0.999	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	23% PEG 3350, 200 mM MgCl2, 100 mM MES pH=6.5