9MXP

Pseudomonas fluorescens isocyanide hydratase D17N mutant, pH=8.8

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	2024-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.82653
Spacegroup name	P 21 21 21
Unit cell lengths	55.931, 70.241, 102.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.740 - 1.200
R-factor	0.1402
Rwork	0.139
R-free	0.16560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.941
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]	37.740	1.220
High resolution limit [Å]	1.200	1.200
Rmeas	0.108	3.262
Number of reflections	126519	5941
<I/σ(I)>	12.4	0.8
Completeness [%]	99.7	95.5
Redundancy	13.5	10.8
CC(1/2)	0.999	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	298	23% PEG 3350, 200 mM MgCl2, 100 mM Tris-HCl pH=8.8