8BNX

Crystal structure of Pif1 from Deferribacter desulfuricans in complex with AMPPNP

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	2016-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 2
Unit cell lengths	143.797, 151.376, 51.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.900 - 3.120
R-factor	0.2406
Rwork	0.240
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.003
RMSD bond angle	0.677
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]	104.256	2.855
High resolution limit [Å]	2.544	2.544
Rmerge	0.135	1.103
Rmeas	0.148	1.195
Rpim	0.058	0.456
Number of reflections	24905	1245
<I/σ(I)>	8.3	1.7
Completeness [%]	93.9	62.8
Redundancy	6.6	6.8
CC(1/2)	0.993	0.704

Crystallization Conditions

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