3CVR

Crystal structure of the full length IpaH3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	95
Detector technology	CCD
Collection date	2008-02-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.9800
Spacegroup name	P 41 21 2
Unit cell lengths	154.190, 154.190, 85.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.800
R-factor	0.2519
Rwork	0.251
R-free	0.27654
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.160
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.370	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.071	0.362
Number of reflections	26107
<I/σ(I)>	25.3	5.5
Completeness [%]	98.7	99.6
Redundancy	11	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	2M NaCl, 0.1M Bis-Tris pH5.5, 2.5% Polyacrylic acid 5100 sodium salt, 0.1 M Sodium Nitrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	2M NaCl, 0.1M Bis-Tris pH5.5, 2.5% Polyacrylic acid 5100 sodium salt, 0.1 M Sodium Nitrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	2M NaCl, 0.1M Bis-Tris pH5.5, 2.5% Polyacrylic acid 5100 sodium salt, 0.1 M Sodium Nitrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K