6ARH

Crystal structure of Human NAL at a resolution of 1.6 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2017-04-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	96.988, 106.897, 127.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 1.600
R-factor	0.1656
Rwork	0.164
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5afd
RMSD bond length	0.008
RMSD bond angle	1.304
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.270	49.270	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.090	0.037	1.297
Rmeas	0.097	0.041	1.436
Rpim	0.037	0.017	0.607
Number of reflections	173953	1206	8543
<I/σ(I)>	10.4
Completeness [%]	100.0	99.6	100
Redundancy	6.8	5.8	5.5
CC(1/2)	0.998	0.996	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	25% PEG3350, 0.2 M sodium acetate, 0.1 M HEPES, pH 7.5