3TEW

Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.45-A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	71.355, 93.385, 118.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.000 - 1.450
R-factor	0.1938
Rwork	0.194
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1acc
RMSD bond length	0.008
RMSD bond angle	1.151
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.096	0.748
Number of reflections	126263
<I/σ(I)>	13.9	1.9
Completeness [%]	90.3	81
Redundancy	6.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	20% PEG-ME 2000, 0.1M Tris-Cl, 0.2M Trimethylamine-N-oxide, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K