9VLX

Directional amination enzyme

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	62.354, 96.998, 119.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.500 - 1.990
R-factor	0.2372
Rwork	0.235
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.876
Data reduction software	XDS (INTEL64_Linux_x86_64)
Data scaling software	pointless (1.12.16)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	2.061
High resolution limit [Å]	1.990	1.990
Rmerge	0.129	0.993
Rpim	0.038	0.339
Number of reflections	50475	4940
<I/σ(I)>	11.17	2.49
Completeness [%]	99.4	98.82
Redundancy	12.4	9.2
CC(1/2)	0.999	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Ammonium Sulfate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene Glycol 3350, Additive(PLP,5mM Ketone)