5ELL

Crystal structure of L-aspartate/glutamate-specific racemase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	82.172, 147.859, 82.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.687 - 1.801
R-factor	0.166
Rwork	0.164
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jfl
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge		0.324
Number of reflections	46553
<I/σ(I)>	23.53	3.44
Completeness [%]	96.3	90.8
Redundancy	4.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.3 M ammonium nitrate, 14~16% PEG 3350