3RO6

Crystal structure of Dipeptide Epimerase from Methylococcus capsulatus complexed with Mg ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-31
Detector	RAYONIX MX-300
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	79.190, 150.670, 106.020
Unit cell angles	90.00, 104.66, 90.00

Refinement procedure

Resolution	19.895 - 2.200
R-factor	0.1771
Rwork	0.174
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_721)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.900		2.240
High resolution limit [Å]	2.200	5.920	2.200
Rmerge	0.113	0.042	0.608
Number of reflections	121455	6171	6336
<I/σ(I)>	13.03	31.38	3.45
Completeness [%]	99.8	96.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	Precipitant contained 10% PEG 4000, 0.2M MgSO4 and 0.1M MES. Protein solution contained 0.1M KCl, 0.05M HEPES (pH 8.0), 0.005M L-Arg-L-Lys, and 0.005M MgCl2. Protein concentration was 10 mg/mL, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K