9MFZ

Streptavidin-E101Q-K121A-L124E bound to Fe(III)-biotin-pentyl-dipicolylamine cofactor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	192.511, 57.633, 57.633
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	45.920 - 1.550
R-factor	0.1671
Rwork	0.166
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.551
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.058	0.748
Rmeas	0.068	0.869
Rpim	0.035	0.436
Number of reflections	87395	8722
<I/σ(I)>	13.54	2.33
Completeness [%]	99.8	99.9
Redundancy	3.7	3.7
CC(1/2)	0.998	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	ammonium sulfate, sodium acetate