3TRJ

Structure of a phosphoheptose isomerase from Francisella tularensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-14
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	98.131, 98.131, 149.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.166 - 2.800
R-factor	0.2288
Rwork	0.226
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tk9
RMSD bond length	0.002
RMSD bond angle	0.582
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.750
High resolution limit [Å]	2.700	7.300	2.700
Rmerge	0.121	0.048	0.572
Number of reflections	20671
<I/σ(I)>	5.2
Completeness [%]	99.9	97.6	100
Redundancy	9.4	9.2	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SITTING DROP	7.5	295	0.1 M HEPES, pH 7.5, 0.2 M magnesium chloride, 30% PEG400, SITTING DROP, temperature 295K