4IJZ

Crystal structure of diaminopimelate epimerase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2009-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	89.380, 89.380, 179.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.370 - 2.000
R-factor	0.1646
Rwork	0.163
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.640
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	179.618	44.690	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.041	0.339
Rmeas		0.046	0.385
Rpim		0.020	0.178
Total number of observations		7233	29012
Number of reflections	47663
<I/σ(I)>	13	28.7	4.2
Completeness [%]	96.1	89.9	93.7
Redundancy	4.5	4.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Sodium nitrate, PEG 3350, Bis-Tris propane, pH 8.5, vapor diffusion, hanging drop, temperature 293K