5OKU

R. palustris Rpa4515 with adipate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	46.900, 166.609, 82.175
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.650 - 2.070
R-factor	0.20965
Rwork	0.207
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qpq
RMSD bond length	0.017
RMSD bond angle	1.893
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.650	2.110
High resolution limit [Å]	2.070	2.070
Rmerge	0.630	2.590
Rmeas	0.670
Rpim	0.210	0.900
Number of reflections	20144	1010
<I/σ(I)>	5	2.3
Completeness [%]	100.0	100
Redundancy	9.4	2.3
CC(1/2)	0.977	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	290	ammonium sulphate, sodium acetate