3TQP

Structure of an enolase (eno) from Coxiella burnetii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	64.807, 95.523, 160.743
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.783 - 2.200
R-factor	0.1853
Rwork	0.183
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.877
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.110	5.720	2.110
Rmerge	0.081	0.054	0.653
Number of reflections	58927
<I/σ(I)>	16.7
Completeness [%]	99.6	99.9	92.2
Redundancy	8.6	11.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	293	40% PEG 400, 7% PEG 3000, 100 mM Tris pH 7.0, 30 mM NaOH, sitting drop, temperature 293K