1J0B

Crystal Structure Analysis of the ACC deaminase homologue complexed with inhibitor

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	2001-05-19
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	105.870, 147.280, 149.070
Unit cell angles	73.18, 90.11, 68.49

Refinement procedure

Resolution	10.000 - 2.700
Rwork	0.291
R-free	0.32000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020 *
RMSD bond angle	1.973 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100 *	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.064	0.367
Total number of observations	244791 *
Number of reflections	244791	35772 *
<I/σ(I)>	7.2	2.2
Completeness [%]	100.0	100 *
Redundancy	2.3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	277 *	PEG4000, 2-propanol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium phosphate	10 (mM)	pH7.0
2	1	drop	protein	10 (mg/ml)
3	1	drop	ACC	0.1 (M)
4	1	drop	Tris	0.1 (M)
5	1	drop	potassium phosphate	0.045 (M)	pH8.5
6	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
7	1	reservoir	2-propanol	10 (%(w/v))
8	1	reservoir	PEG4000	13-15 (%(w/v))