4JN8

Crystal structure of an enolase (putative galactarate dehydratase, target efi-500740) from agrobacterium radiobacter, bound sulfate, no metal ion, ordered active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-07
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	I 4 2 2
Unit cell lengths	124.044, 124.044, 114.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.189 - 1.400
R-factor	0.1294
Rwork	0.129
R-free	0.14570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rr1
RMSD bond length	0.008
RMSD bond angle	1.302
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	BALBES
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.712	21.189	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge	0.136	0.038	0.724
Total number of observations		41770	181562
Number of reflections	87340
<I/σ(I)>	14.1	14.5	1
Completeness [%]	100.0	99.1	100
Redundancy	14.7	14.1	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	Protein (20 mM Tris pH 7.9, 5 mM MgCl2, 0.1 M NaCl); Reservoir (2.0 M Ammonium Sulfate, 0.1 M Bis-Tris pH 5.5); Cryoprotection (Reservoir, + 20% ethylene glycol and 50 mM MgCl), temperature 298K, VAPOR DIFFUSION, SITTING DROP