4PUF

Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-19
Detector	PSI PILATUS 6M
Wavelength(s)	0.979138
Spacegroup name	P 21 21 21
Unit cell lengths	106.290, 134.830, 154.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.854 - 3.296
R-factor	0.2735
Rwork	0.272
R-free	0.30840
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.785
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	3.490
High resolution limit [Å]	3.296	3.290
Number of reflections	34042
<I/σ(I)>	16.84	2.83
Completeness [%]	99.4	98.1
Redundancy	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.8	291	15% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K
1	VAPOR DIFFUSION	7.8	291	15% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K