1Z2L

Crystal structure of Allantoate-amidohydrolase from E.coli K12 in complex with substrate Allantoate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9877, 0.9792, 0.94
Spacegroup name	P 21 21 2
Unit cell lengths	95.532, 186.579, 49.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 2.250
R-factor	0.229
Rwork	0.229
R-free	0.27300
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	MARMAD
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.066	0.430
Number of reflections	41530
<I/σ(I)>	21.2
Completeness [%]	97.2	96.1
Redundancy	15.5	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	8.5	298	Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	8.5	298	Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K