5XXH

Crystal Structure Analysis of the CBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-03-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97791
Spacegroup name	P 32 2 1
Unit cell lengths	44.320, 44.320, 121.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.430 - 1.620
R-factor	0.192
Rwork	0.191
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nyx
RMSD bond length	0.008
RMSD bond angle	1.330
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.23)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.650	1.640
High resolution limit [Å]	1.620	1.620
Rmerge	0.085	0.335
Rmeas	0.088	0.344
Rpim	0.021	0.080
Total number of observations	322175	16584
Number of reflections	18496	894
<I/σ(I)>	22.2	9.6
Completeness [%]	100.0	100
Redundancy	17.4	18.6
CC(1/2)	0.998	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	30% PEG 3350, 0.2M MgCl2, 0.1M Tris HCl, PH 8.5