5XR2

SAV0551

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	96.284, 129.454, 187.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 2.600
R-factor	0.18459
Rwork	0.181
R-free	0.25423
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4n
RMSD bond length	0.013
RMSD bond angle	1.629
Data scaling software	HKL-2000
Phasing software	MOLREP (11.4.06)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	0.475
Rpim	0.044	0.186
Number of reflections	72192	3475
<I/σ(I)>	32.7
Completeness [%]	99.3	97.4
Redundancy	6.5	3.2
CC(1/2)		0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	23% (w/v) PEG 3350, 100mM BisTris, pH 6.0