1UPB

Carboxyethylarginine synthase from Streptomyces clavuligerus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	117.703, 127.276, 197.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.350 * - 2.350
R-factor	0.159
Rwork	0.157
R-free	0.19500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.340 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.054	0.115
Total number of observations	420132 *
Number of reflections	114144	11387 *
<I/σ(I)>	10.6	5.8
Completeness [%]	92.3	63.7
Redundancy	3.7	2.1

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