6THJ

CBDP35 Native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99988
Spacegroup name	C 1 2 1
Unit cell lengths	332.510, 94.590, 83.190
Unit cell angles	90.00, 90.40, 90.00

Refinement procedure

Resolution	37.880 - 2.200
R-factor	0.1983
Rwork	0.196
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s3y
RMSD bond length	0.009
RMSD bond angle	1.602
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.880	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.186	0.996
Number of reflections	130198	6370
<I/σ(I)>	6.8	1.9
Completeness [%]	99.6	99.2
Redundancy	6.3	6.6
CC(1/2)	0.993	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298.5	4M Sodium Formate