4GIR

Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212)

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	2011-07-27
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 41 21 2
Unit cell lengths	146.836, 146.836, 169.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.230 - 2.000
R-factor	0.1492
Rwork	0.148
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ggh
RMSD bond length	0.009
RMSD bond angle	1.088
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.990	42.386	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.133	0.059	0.673
Total number of observations		28405	79331
Number of reflections	113621
<I/σ(I)>	9.6	7.7	1.1
Completeness [%]	91.7	98.1	80.7
Redundancy	5.9	6.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	7.5	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl); Reservoir (2 M Ammonium Sulfate); Cryoprotection (Reservoir, + 20% ethylene glycol and 50 mM MgCl), sitting drop vapor diffuction, temperature 298K