4IK0

Crystal structure of diaminopimelate epimerase Y268A mutant 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	2011-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	89.180, 89.180, 179.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.677 - 2.050
R-factor	0.178
Rwork	0.176
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.652
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]	49.677	49.677	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge		0.053	0.577
Rmeas		0.059	0.628
Rpim		0.024	0.246
Total number of observations		9639	42700
Number of reflections	46324
<I/σ(I)>	10.4	20.5	3.2
Completeness [%]	100.0	99.8	100
Redundancy	6.3	5.8	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2M Sodium iodide, 18% PEG 3350, 0.1M Bis-Tris propane, 5mM diaminopimelic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K