4DXK

Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate

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	2012-02-01
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	I 4 2 2
Unit cell lengths	111.540, 111.540, 130.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.457 - 1.250
R-factor	0.1549
Rwork	0.154
R-free	0.16870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pod
RMSD bond length	0.011
RMSD bond angle	1.158
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	1.980	1.320
High resolution limit [Å]	1.250	1.770	1.250
Rmerge	0.103	0.121	0.898
Number of reflections	112825
<I/σ(I)>	13.9	18.5	3.1
Completeness [%]	100.0	99.99	100
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	4	298	Protein (10 mM Tris, pH 8.0, 200 mM NaCl, 5 mM Mg; Reservoir (0.2 M NaCl, 0.1 M NaPO4, Citrate acid pH 4.2, 10% PEG3000); Cryoprotection (Reservoir, + 20% glycerol and 50 mM MgCl), sitting drop vapor diffuction, temperature 298K