4DN1

Crystal structure of an ENOLASE (mandelate racemase subgroup member) from Agrobacterium tumefaciens (target EFI-502088) with bound mg and formate

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	2011-11-15
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	102.360, 102.360, 369.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.706 - 2.050
R-factor	0.1631
Rwork	0.161
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nql
RMSD bond length	0.008
RMSD bond angle	1.053
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.108	0.517
Number of reflections	72945
<I/σ(I)>	15.8	4.5
Completeness [%]	100.0	100
Redundancy	11.7	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	4.6	298	Protein (10 mM Tris pH 8.0, 150 mM NaCl, 5 mM MgCl2, 1 mM D,L-glycerate; Reservoir (0.1 M NaAcetate pH 4.6, 3.5 M NaFormate); Cryoprotection (Reservoir, 50 mM MgCl2, 20% Glycerol), sitting drop vapor diffuction, temperature 298K