4DYJ

Crystal structure of a broad specificity amino acid racemase (Bar) within internal aldimine linkage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	142.252, 118.740, 77.780
Unit cell angles	90.00, 100.71, 90.00

Refinement procedure

Resolution	30.000 - 2.450
R-factor	0.1609
Rwork	0.158
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-Met model
RMSD bond length	0.017
RMSD bond angle	1.469
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	46692
Completeness [%]	81.8	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, 2.0M Ammonium-Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K