1FSY

AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC 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	2000-05-17
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	118.360, 77.570, 97.460
Unit cell angles	90.00, 116.18, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.196 *
Rwork	0.196
R-free	0.21800
RMSD bond length	0.014
RMSD bond angle	1.100 *
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	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.064	0.139
Total number of observations	287631 *
Number of reflections	79142
<I/σ(I)>	12.9
Completeness [%]	98.6	94.6
Redundancy	3.6

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)