4HQZ

Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with 2-hydroxyethyl disulfide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-15
Detector	Pilatus 2M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	32.100, 36.080, 58.640
Unit cell angles	101.13, 100.26, 101.59

Refinement procedure

Resolution	23.887 - 1.220
R-factor	0.1556
Rwork	0.154
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h1b
RMSD bond length	0.009
RMSD bond angle	1.256
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.890	1.240
High resolution limit [Å]	1.220	1.220
Number of reflections	67595
Completeness [%]	92.1	92.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	30% PEG 1500 , VAPOR DIFFUSION, HANGING DROP, temperature 293.15K