1FSW

AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CEPHALOTHINBORONIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-16
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	118.110, 77.829, 97.318
Unit cell angles	90.00, 115.83, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.194 *
Rwork	0.194
R-free	0.22700
RMSD bond length	0.013
RMSD bond angle	1.030 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.063	0.172
Total number of observations	176832 *
Number of reflections	58505
<I/σ(I)>	14.2
Completeness [%]	93.6	94.5
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	23 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	potassium phosphate	1.7 (M)
2	1	drop	protein	0.095 (mM)
3	1	drop	DMSO	2 (%)
4	1	drop	potassium phosphate	1.7 (M)