7ZPN

Crystal Structure of IscR from Dinoroseobacter shibae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	P 32 2 1
Unit cell lengths	70.971, 70.971, 149.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.870 - 1.940
R-factor	0.195
Rwork	0.194
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cic
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.870	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.050	1.053
Rmeas	0.052	1.081
Rpim	0.012	0.241
Total number of observations	656968	95731
Number of reflections	33461	4798
<I/σ(I)>	29.7	2.8
Completeness [%]	100.0	100
Redundancy	19.6	20
CC(1/2)	0.999	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	293	30 % (v/v) PEG 200 100 mM CAPS/ NaOH pH 10,5 200 mM Ammonium sulfate