1J0D

ACC deaminase mutant complexed with ACC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-01
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	65.254, 267.293, 187.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
Rwork	0.221
R-free	0.27890
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1f2d
RMSD bond length	0.007
RMSD bond angle	1.250 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000 *	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.068	0.354
Total number of observations	356148 *
Number of reflections	76220	10134 *
<I/σ(I)>	11	2.4
Completeness [%]	91.6 *	84.1
Redundancy	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	293	ACC, ammmonium sulfate, pottasium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ACC	20 (mM)
2	1	drop	enzyme	15-20 (mg/ml)
3	1	drop	potassium phosphate	40 (mM)	pH6.5
4	1	drop	PLP	1 (mM)
5	1	drop	glycerol	5 (%)
6	1	reservoir	potassium phosphate	100 (mM)	pH7.4-8.0
7	1	reservoir	ammonium sulfate	2.2 (M)