1FCO

CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	129
Spacegroup name	C 1 2 1
Unit cell lengths	118.116, 77.166, 97.923
Unit cell angles	90.00, 116.17, 90.00

Refinement procedure

Resolution	8.000 - 2.200
Rwork	0.215
R-free	0.25800
RMSD bond length	0.016 *
RMSD bond angle	1.800 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.114	0.316
Number of reflections	39390
<I/σ(I)>	12.8
Completeness [%]	95.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	23 *	1.7 M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.1 (mM)
2	1	reservoir	potassium phosphate	1.7 (M)