5C18

p97-delta709-728 in complex with ATP-gamma-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	140.330, 180.059, 255.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 3.300
R-factor	0.2129
Rwork	0.211
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cf3
RMSD bond length	0.003
RMSD bond angle	0.718
Data reduction software	XDS
Data scaling software	Aimless (0.3.8)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.180	49.180	3.360
High resolution limit [Å]	3.300	18.070	3.300
Rmerge	0.179	0.050	1.840
Rpim	0.070	0.025	0.713
Total number of observations	730152	2901	36672
Number of reflections	97950
<I/σ(I)>	10.8	23.9	1.2
Completeness [%]	100.0	93.5	100
Redundancy	7.5	4.5	7.6
CC(1/2)	0.997	0.997	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	6.5-7% PEG 4000, 0.4-0.6 M potassium acetate, 0.1 M MES pH 5.75