1TUF

Crystal structure of Diaminopimelate Decarboxylase from m. jannaschi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-20
Detector	BRANDEIS - B4
Wavelength(s)	1.4
Spacegroup name	P 61 2 2
Unit cell lengths	80.806, 80.806, 508.503
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.204
Rwork	0.204
R-free	0.25300
Structure solution method	SIRAS
Starting model (for MR)	Model built with electron density map calculated using a Platinum derivative.
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	36391
<I/σ(I)>	4.9	4.8
Completeness [%]	90.3	53.4
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	12% PEG6000, 0.1M Tris-HCl, 20mM MgCl2, 25mM azelaic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	8	291	12% PEG6000, 0.1M Tris-HCl, 20mM MgCl2, 25mM azelaic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K