1UPC

Carboxyethylarginine synthase from Streptomyces clavuligerus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	123.073, 187.196, 198.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 * - 2.450
R-factor	0.178
Rwork	0.176
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.470
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.050	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.083	0.347
Total number of observations	683385 *
Number of reflections	168019	24074 *
<I/σ(I)>	8.7	2.2
Completeness [%]	99.8	98.9
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	17 *	1.6M (NH4)2SO4, 0.1M HEPES PH7.4. 10 MG/ML PROTEIN WITH 3-FOLD EXCESS OF TDP., pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.6 (M)
3	1	reservoir	HEPES	0.1 (M)	pH7.4