1MC1

BETA-LACTAM SYNTHETASE WITH PRODUCT (DGPC), AMP AND PPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	61.038, 96.570, 80.912
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	29.000 * - 2.160
Rwork	0.208
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jgt
RMSD bond length	0.010
RMSD bond angle	23.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000 *	2.230
High resolution limit [Å]	2.160	2.150
Rmerge	0.069 *	0.293 *
Total number of observations	687896 *
Number of reflections	50318 *
Completeness [%]	97.4	93.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	296	Miller, M.T., (2001) Nature Struct. Biol., 8, 684. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris	50 (mM)	pH7.5
3	1	reservoir	PEG4000	7 (%(w/v))
4	1	reservoir		200 (mM)
5	1	reservoir	glycerol	7 (%(v/v))
6	1	reservoir	Tris	80 (mM)	pH8.0