6A0I

Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	82.982, 84.340, 86.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.527 - 1.996
R-factor	0.1662
Rwork	0.164
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a0e
RMSD bond length	0.005
RMSD bond angle	0.726
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rpim	0.048	0.247
Number of reflections	42029	2075
<I/σ(I)>	16.31
Completeness [%]	100.0	100
Redundancy	7.2	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	295	PEG 3350, potassium phosphate monobasic