4HQS

Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_0659 (Etrx1) from Streptococcus pneumoniae strain TIGR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-06
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	62.850, 62.850, 89.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.107 - 1.480
R-factor	0.183
Rwork	0.182
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.058
RMSD bond angle	1.373
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.870	1.560
High resolution limit [Å]	1.440	1.480
Rmerge	0.088
Number of reflections	30641
Completeness [%]	99.9	99.9
Redundancy	26.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1M Tris pH 8.5, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K