8BNS

Crystal structure of Pif1 from Sulfurihydrogenibium sp in complex with ADP

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	2015-12-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977760
Spacegroup name	P 1 21 1
Unit cell lengths	113.138, 129.292, 113.685
Unit cell angles	90.00, 103.40, 90.00

Refinement procedure

Resolution	110.590 - 3.240
R-factor	0.2394
Rwork	0.238
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ftd
RMSD bond length	0.005
RMSD bond angle	1.010
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.590	3.570
High resolution limit [Å]	3.240	3.240
Rmerge	0.150	0.709
Rmeas	0.179	0.840
Rpim	0.096	0.447
Number of reflections	31700	1586
<I/σ(I)>	5.2	1.7
Completeness [%]	91.6	66.2
Redundancy	3.4	3.4
CC(1/2)	0.996	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Tris-HCl 0.1M PEG 4K 20% PEG 200 5%