6CI9

RMM microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	131.770, 129.060, 145.790
Unit cell angles	90.00, 107.88, 90.00

Refinement procedure

Resolution	48.495 - 1.900
R-factor	0.2052
Rwork	0.204
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 3RIH
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.495	48.495	1.580
High resolution limit [Å]	1.540	6.890	1.540
Rmerge	0.137	0.036	4.686
Rmeas	0.163	0.042	6.459
Total number of observations	1847055
Number of reflections	561674	7783	14648
<I/σ(I)>	5.88	26.83	0.13
Completeness [%]	82.2	98.8	29
Redundancy	3.288	3.638	1.874
CC(1/2)	0.996	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	298	0.1 M Tris, 0.2 M MgCl2, 13% PEG4000