8I6N

Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - L6T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	150
Detector technology	PIXEL
Collection date	2020-12-15
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 32 2 1
Unit cell lengths	65.640, 65.640, 184.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.160 - 2.200
R-factor	0.18617
Rwork	0.183
R-free	0.24438
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.498
Data reduction software	SAINT
Data scaling software	SAINT (V8.38A)
Phasing software	PHENIX
Refinement software	REFMAC (1.18_3845)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.170	4.300	2.070
High resolution limit [Å]	1.999	3.416	1.999
Number of reflections	23492	11983	59756
<I/σ(I)>	10.6
Completeness [%]	99.7
Redundancy	2.23

Crystallization Conditions

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