7B9Q

The SERp optimized structure of Ribonucleotide reductase from Rhodobacter sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43
Unit cell lengths	161.588, 161.588, 97.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.588 - 2.780
R-factor	0.222
Rwork	0.220
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b9p
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.588	46.588	2.940
High resolution limit [Å]	2.776	8.220	2.780
Rmerge	0.197	0.033	2.509
Rmeas	0.212	0.035	2.695
Number of reflections	63329	2525	10055
<I/σ(I)>	9.63	49.22	0.77
Completeness [%]	99.8	99.4	98.9
Redundancy	7.641	7.281	7.408
CC(1/2)	0.997	0.999	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Precipitant: 40% MPD, 5% PEG 8000, 100 mM MES-Bufffer Protein sample: 25 mg/mL Enzyme + 100 uM dATP Ratio 1:1