5UJW

Crystal structure of triosephosphate isomerase from Francisella tularensis subsp. tularensis SCHU S4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97904
Spacegroup name	P 1 2 1
Unit cell lengths	76.724, 136.965, 84.602
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	32.579 - 2.650
R-factor	0.2248
Rwork	0.216
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TRE.pdb
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (dev_2650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.111	0.116	0.539
Rmeas	0.138	0.141	0.672
Rpim	0.081	0.079	0.399
Total number of observations	137054
Number of reflections	50936
<I/σ(I)>	7.4
Completeness [%]	98.8	91.2	99.5
Redundancy	2.7	2.8	2.7
CC(1/2)		0.946	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1M Sodium Citrate, 10% PEG4000, 20% iso-propanol