6A0H

Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant with Asn-Leu-Ala-Ala-Arg peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	84.003, 85.884, 88.094
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.517 - 3.185
R-factor	0.1878
Rwork	0.185
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a0i
RMSD bond length	0.002
RMSD bond angle	0.509
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	3.260
High resolution limit [Å]	3.200	3.200
Rpim	0.067	0.182
Number of reflections	11141	552
<I/σ(I)>	9.67
Completeness [%]	99.8	100
Redundancy	7.6	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.8	295	PEG 4000, potassium phosphate monobasic