6N63

Crystal structure of an Iron binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	81.390, 81.390, 65.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.700 - 1.720
R-factor	0.194
Rwork	0.193
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model
RMSD bond length	0.020
RMSD bond angle	1.360
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Arcimboldo
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.000	1.780
High resolution limit [Å]	1.719	1.720
Rpim	0.026	0.504
Number of reflections	24131	2353
<I/σ(I)>	29	1
Completeness [%]	99.7	99.7
Redundancy	9.1	8.1
CC(1/2)	0.982	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10% v/v Pentaerythritol ethoxylate (3/4 EO/OH) and 10% butanol