1MY8

AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain

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	2002-06-12
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	118.205, 76.699, 97.656
Unit cell angles	90.00, 116.31, 90.00

Refinement procedure

Resolution	20.000 - 1.720
Rwork	0.167
R-free	0.18900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fsy
RMSD bond length	0.014 *
RMSD bond angle	1.760 *
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	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.040	0.120
Total number of observations	350811 *
Number of reflections	82138
<I/σ(I)>	29.99	11.23
Completeness [%]	99.2 *	96
Redundancy	4.27

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)	pH8.7
2	1	drop	protein	3.8 (mg/ml)
3	1	drop	DMSO	1.2 (%)
4	1	drop	potassium phosphate	1 (M)	pH8.7