1O07

Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor (MXG)

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	2000-08-20
Detector	MARRESEARCH
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	118.808, 76.298, 98.127
Unit cell angles	90.00, 116.21, 90.00

Refinement procedure

Resolution	25.000 * - 1.710
R-factor	0.15552
Rwork	0.154
R-free	0.19100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Isotropic with individual B factors refined
RMSD bond length	0.017
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.770
High resolution limit [Å]	1.710	1.710
Rmerge	0.041	0.122
Total number of observations	440555 *
Number of reflections	83273
<I/σ(I)>	32.7	10.7
Completeness [%]	98.1	97
Redundancy	5.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.7	295	Potassium Phosphate buffer, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.9 (mg/ml)
2	1	drop	potassium phosphate	1.0 (M)	pH8.7
3	1	reservoir	potassium phosphate	1.7 (M)	pH8.7