6PHR

Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	45.874, 120.680, 65.360
Unit cell angles	90.00, 109.09, 90.00

Refinement procedure

Resolution	61.765 - 1.650
R-factor	0.1807
Rwork	0.179
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4ZUM
RMSD bond length	0.017
RMSD bond angle	0.946
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]	61.770	1.680
High resolution limit [Å]	1.650	1.650
Rpim	0.106	0.675
Number of reflections	79658	7965
<I/σ(I)>	2.2
Completeness [%]	99.2
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	10 mg/ml protein, 20% v/v-propanol, 0.1 MES monohydrate (pH 6.0), 20% w/v polyethylene glycol monomethyl ether 2000, 1:1 ratio protein to precipitant