7MMW

Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae (in alternate conformation)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 1
Unit cell lengths	45.375, 52.876, 74.534
Unit cell angles	109.40, 106.41, 91.47

Refinement procedure

Resolution	33.820 - 1.550
R-factor	0.1744
Rwork	0.173
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ebo
RMSD bond length	0.003
RMSD bond angle	1.133
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.021	0.015	0.105
Rmeas	0.024	0.018	0.122
Rpim	0.012	0.009	0.062
Total number of observations	343382
Number of reflections	86931	4370	4265
<I/σ(I)>	21.2
Completeness [%]	96.6	97.2	94.8
Redundancy	4	3.8	3.9
CC(1/2)		0.997	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	15% (w/v) PEG 3350, 0.2 M calcium chloride, 0.1 M HEPBS pH 8.5, 10 mM sodium dithionite