2HDR

AmpC beta-lactamase in complex with 4-Amino-3-hydroxybenzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-08
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	117.239, 77.340, 99.010
Unit cell angles	90.00, 118.44, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.197
Rwork	0.197
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ke4
RMSD bond length	0.008
RMSD bond angle	1.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.076	0.416
Number of reflections	38774
<I/σ(I)>	8.1
Completeness [%]	97.5	97
Redundancy	3.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	294	1.8M potassium phosphate, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 294K