1F2D

1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-10-20
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	66.380, 269.370, 186.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.221
Rwork	0.221
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.006 *
RMSD bond angle	1.256 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.051	0.223
Total number of observations	1000373 *
Number of reflections	110126 *
<I/σ(I)>	14.6	4.39
Completeness [%]	98.5	96.3
Redundancy	9.08 *	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	291	AMMONIUM SULFATE, POTASSIUM PHOSPHATE, PYRIDOXAL 5'-PHOSPHATE, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)