8IGZ

Xcc NAMPT Quadruple mutant

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 61 2 2
Unit cell lengths	115.760, 115.760, 317.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.718 - 3.110
R-factor	0.2157
Rwork	0.213
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.720	3.220
High resolution limit [Å]	3.110	3.110
Number of reflections	23619	23618
<I/σ(I)>	10
Completeness [%]	99.9
Redundancy	37.59
CC(1/2)	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.96 M ammonium tartrate, 0.4 M Ammonium sulfate, 0.02 M Sodium acetate trihydrate), N, N-Bis(3-D-gluconamidopropyl) cholamide and N,N-Dimethyldecylamine-N-oxide.