9QNP

Streptavidin K121W with a thiophenol cofactor as artificial hydrogen atom transferase

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.6199
Spacegroup name	C 1 2 1
Unit cell lengths	115.245, 89.026, 57.891
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	43.220 - 2.300
R-factor	0.2001
Rwork	0.197
R-free	0.25388
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.742
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.220	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.061	0.482
Rmeas	0.086	0.682
Rpim	0.061	0.482
Number of reflections	25882	2577
<I/σ(I)>	9.28	1.71
Completeness [%]	99.9	99.92
Redundancy	2	2
CC(1/2)	0.997	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10 % w/v PEG 1K, 10 % w/v PEG 8K