5Z9R

NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	53.650, 80.822, 64.501
Unit cell angles	90.00, 102.22, 90.00

Refinement procedure

Resolution	31.520 - 2.000
R-factor	0.1927
Rwork	0.191
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kqn
RMSD bond length	0.008
RMSD bond angle	0.921
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.102	0.081	0.376
Rmeas	0.114	0.091	0.415
Rpim	0.051	0.041	0.173
Number of reflections	35818	3299	3645
<I/σ(I)>	12.5
Completeness [%]	98.2	88.3	100
Redundancy	5.4	5	5.5
CC(1/2)		0.988	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.04 M citric acid, 0.06 M Bis-Tris propane, pH 7.0, 20% PEG3350