5KPZ

PANK3-ADP-PhosphoPantothenate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	99.488, 99.488, 68.542
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.474 - 2.400
R-factor	0.1756
Rwork	0.173
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kpr
RMSD bond length	0.010
RMSD bond angle	0.858
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.474	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.086	0.447
Number of reflections	15535
<I/σ(I)>	29.6	2.9
Completeness [%]	98.7	89.8
Redundancy	8.3	5.5
CC(1/2)		0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291.15	PEG 4000, ammonium acetate, citrate