6SF4

Apo form of the ribonucleotide reductase NrdB protein from Leeuwenhoekiella blandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8500
Spacegroup name	P 21 21 21
Unit cell lengths	67.587, 68.196, 148.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.900 - 1.700
R-factor	0.176
Rwork	0.175
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1syy
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.940	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.106	2.299
Rpim	0.035	0.854
Number of reflections	74093	3025
<I/σ(I)>	14.5	1
Completeness [%]	97.5	76.2
Redundancy	17.5	14.8
CC(1/2)	0.999	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Protein at 7.5 mg/ml in buffer containing 50 mM Tris-HCl pH 7.8, 300 mM NaCl, 10% glycerol, 20 mM MgCl2 and 2 mM tris(2-carboxyethyl)phosphine (TCEP). Precipitant 2.4 M sodium malonate dibasic monohydrate pH 7.0. Drops 200+200 nl.