8BNV

Crystal structure of Pif1 from Deferribacter desulfuricans in apo from

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978480
Spacegroup name	C 2 2 21
Unit cell lengths	88.764, 147.053, 78.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.640 - 2.860
R-factor	0.2046
Rwork	0.202
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.007
RMSD bond angle	0.948
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.993	2.910
High resolution limit [Å]	2.860	2.860
Rmerge	0.093	0.777
Rmeas	0.101	0.842
Rpim	0.040	0.321
Number of reflections	12146	595
<I/σ(I)>	14.5	2.3
Completeness [%]	99.7	100
Redundancy	6.4	6.8
CC(1/2)	0.997	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Tris-HCl 100 mM PEG 8K 12% Isopropanol 5%