6S4S

CBDP35 Native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	333.321, 95.118, 83.846
Unit cell angles	90.00, 90.33, 90.00

Refinement procedure

Resolution	47.600 - 2.150
R-factor	0.18689
Rwork	0.186
R-free	0.21177
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s3y
RMSD bond length	0.010
RMSD bond angle	1.611
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.560	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.115	0.980
Number of reflections	142267	14110
<I/σ(I)>	12.98	2.08
Completeness [%]	99.8	99.89
Redundancy	6.8	6.7
CC(1/2)		0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	4M Sodium formate