8GOG

Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-01-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	79.450, 81.390, 90.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 2.000
R-factor	0.2532
Rwork	0.251
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cse
RMSD bond length	0.010
RMSD bond angle	1.312
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.310
Number of reflections	19868	2711
<I/σ(I)>	4
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.990	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	291	0.2 M sodium sulfate pH 6.7 with 20% w/v PEG 3350