6CPD

Crystal structure of PmoD soluble domain from Methylocystis sp. ATCC 49242 (Rockwell)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.37716
Spacegroup name	P 32 2 1
Unit cell lengths	83.255, 83.255, 70.963
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.906 - 1.903
R-factor	0.1754
Rwork	0.172
R-free	0.20890
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.261
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	PHENIX (1.8.3_1479)
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmeas	0.082	0.873
Rpim	0.015	0.269
Number of reflections	22042	1839
<I/σ(I)>	37.16	2.85
Completeness [%]	97.2	82.9
Redundancy	27.5	10
CC(1/2)		0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1 M sodium acetate, 0.2 M ammonium sulfate, 18% PEG 4000