2HBV

Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97904, 0.97918, 0.97818, 0.98034, 0.97951
Spacegroup name	C 1 2 1
Unit cell lengths	153.557, 48.107, 110.700
Unit cell angles	90.00, 127.31, 90.00

Refinement procedure

Resolution	33.810 - 1.650
R-factor	0.251
Rwork	0.211
R-free	0.25100
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.224
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.028	0.189
Number of reflections	72711
<I/σ(I)>	13.9
Completeness [%]	46.8	22.1
Redundancy	1.6	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.75	298	15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.75	298	15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.75	298	15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.75	298	15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K