2YP6

Crystal structure of the pneumoccocal exposed lipoprotein thioredoxin sp_1000 (Etrx2) from Streptococcus pneumoniae strain TIGR4 in complex with Cyclofos 3 TM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-08
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	61.460, 116.310, 116.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.813 - 1.767
R-factor	0.1662
Rwork	0.165
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h1b
RMSD bond length	0.012
RMSD bond angle	1.302
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.810	1.860
High resolution limit [Å]	1.770	1.770
Rmerge	0.040	0.480
Number of reflections	82391
<I/σ(I)>	37.1	4.2
Completeness [%]	99.9	99.4
Redundancy	5.7	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1