4E8G

Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg

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	2012-03-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 4 21 2
Unit cell lengths	117.963, 117.963, 111.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.577 - 2.000
R-factor	0.1647
Rwork	0.163
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pmq
RMSD bond length	0.008
RMSD bond angle	1.083
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.963	117.963	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.116	0.050	0.707
Total number of observations		23832	101888
Number of reflections	53519
<I/σ(I)>	16.9	13.7	1.1
Completeness [%]	100.0	99.6	100
Redundancy	14.1	12.6	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 5 mM MgCl); Reservoir (0.1 M Magnesium Chloride 0.1 M MES:NaOH pH 6.5 30% (v/v) PEG 400); Cryoprotection (Reservoir), sitting drop vapor diffuction, temperature 298K, VAPOR DIFFUSION, SITTING DROP