7W8L

Crystal Structure of Co-type nitrile hydratase mutant from Pseudonocardia thermophila - M46R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	150
Detector technology	PIXEL
Collection date	2021-03-26
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 32 2 1
Unit cell lengths	65.461, 65.461, 182.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.090 - 2.301
R-factor	0.1825
Rwork	0.180
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ire
Data reduction software	SAINT
Data scaling software	SAINT (V8.38A)
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.100	4.944	2.383
High resolution limit [Å]	2.301	3.930	2.301
Number of reflections	20200	7831	37161
<I/σ(I)>	15.58
Completeness [%]	94.9
Redundancy	2.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	sodium citrate, HEPES-NaOH, pH 7.5,