5ZI1

Crystal structure of Bacillus thuringiensis insecticidal crystal protein Cry7Ca1 (wild type)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	126.261, 235.959, 69.025
Unit cell angles	90.00, 116.53, 90.00

Refinement procedure

Resolution	40.796 - 2.300
R-factor	0.1913
Rwork	0.189
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlc 3eb7
RMSD bond length	0.008
RMSD bond angle	0.890
Data reduction software	d*TREK (9.9.9.4D)
Data scaling software	d*TREK (9.9.9.4D)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.540	43.540	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.122	0.087	0.439
Rmeas	0.143	0.103	0.511
Number of reflections	79251		7957
<I/σ(I)>	6.3	15.4	2.1
Completeness [%]	99.4	98.5	99.1
Redundancy	3.76	3.62	3.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	283	NaCl