4PKM

Crystal Structure of Bacillus thuringiensis Cry51Aa1 Protoxin at 1.65 Angstroms Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95
Spacegroup name	P 43 21 2
Unit cell lengths	54.703, 54.703, 209.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.480 - 1.650
R-factor	0.1821
Rwork	0.181
R-free	0.19890
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.060
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.114	0.077	0.536
Total number of observations	548719
Number of reflections	39741
<I/σ(I)>	7.4
Completeness [%]	99.9	99.6	99.8
Redundancy	13.8	11.8	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3	291	ammonium sulfate, sodium acetate pH 3.0, PEG2000