5EXZ

Crystal structure of purified recombinant CPV1 Polyhedra

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	I 2 3
Unit cell lengths	103.170, 103.170, 103.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.570 - 1.900
R-factor	0.152
Rwork	0.146
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oh5
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BUSTER (2.10.1)
Refinement software	BUSTER (2.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.970
High resolution limit [Å]	1.900	4.200	1.900
Rmerge	0.268	0.107
Rmeas	0.322	0.125	0.688
Rpim	0.165	0.063	0.348
Total number of observations	42463
Number of reflections	13734
<I/σ(I)>	4.5		1.9
Completeness [%]	94.5	92.2	93.4
Redundancy	3.3	3.4	3.4
CC(1/2)		0.982	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300	The crystals used to determine this structure were directly purified from cells, in vivo crystallization in the cytoplasm of the cell