6DJ4

Crystal Structure of Bacillus thuringiensis Cry1A.105 Tryptic Core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	124.375, 49.441, 103.692
Unit cell angles	90.00, 108.65, 90.00

Refinement procedure

Resolution	49.124 - 3.010
R-factor	0.2218
Rwork	0.219
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CryIAa
RMSD bond length	0.002
RMSD bond angle	0.541
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.250	3.110
High resolution limit [Å]	3.010	3.010
Number of reflections	11744	1167
<I/σ(I)>	9.9	2.2
Completeness [%]	96.9	97.3
Redundancy	3.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	Crystals were obtained using a precipitant/reservoir solution of 5% (w/v) PEG 4000, 0.1 M sodium citrate buffer, pH 6, and 10% isopropanol. Micro-seeding was required to obtain crystals sizable enough for X-ray intensity data collection at the synchrotron.