8EUO

Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	47.054, 106.378, 128.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.030 - 1.990
R-factor	0.1896
Rwork	0.184
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c6x
RMSD bond length	0.008
RMSD bond angle	1.028
Data reduction software	HKL-2000 (721.3)
Data scaling software	HKL-2000 (721.3)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.030	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.063	0.748
Rmeas	0.077	0.347
Rpim	0.032	0.828
Number of reflections	20181	1606
<I/σ(I)>	13.9
Completeness [%]	89.4	89.95
Redundancy	5.1
CC(1/2)	0.998	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M BIS TRIS, 2.0 M Ammonium Sulfate