6PIA

Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	65.744, 163.170, 65.744
Unit cell angles	90.00, 94.44, 90.00

Refinement procedure

Resolution	46.270 - 1.750
R-factor	0.1765
Rwork	0.175
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB: 4ZUM
RMSD bond length	0.006
RMSD bond angle	0.839
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.270	1.810
High resolution limit [Å]	1.750	1.750
Rpim	0.085	0.470
Number of reflections	131376	12851
<I/σ(I)>	7.3
Completeness [%]	95.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 mg/ml msAPAH Protein, 0.2 M calcium chloride dihydrate, 20% w/v PEG 3350, 1:1 ratio protein to precipitant