1TZJ

Crystal Structure of 1-aminocyclopropane-1-carboxylate deaminase complexed with d-vinyl glycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97780
Spacegroup name	P 21 21 21
Unit cell lengths	67.665, 68.425, 350.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 1.990
R-factor	0.213
Rwork	0.213
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tyz
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.040
High resolution limit [Å]	1.970	1.970
Number of reflections	110765
<I/σ(I)>	44.5	9.2
Completeness [%]	99.6	99
Redundancy	12.7	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	ISOPROPANOL, PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K