4I82

Crystal Structure of Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	46.260, 118.470, 87.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.770 - 2.500
R-factor	0.24074
Rwork	0.238
R-free	0.28603
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lbb
RMSD bond length	0.011
RMSD bond angle	1.585
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.220	2.620
High resolution limit [Å]	2.490	2.490
Number of reflections	8159
Completeness [%]	93.6	83.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	200mM Ammonium Tartrate dibasic, 20% PEG 3350, 100mM Tris pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K