4ZEJ

Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	46.397, 46.977, 183.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.880 - 1.790
R-factor	0.17316
Rwork	0.172
R-free	0.18907
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddk
RMSD bond length	0.008
RMSD bond angle	1.229
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.890	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.088	0.501
Number of reflections	38481
<I/σ(I)>	29.6	2.5
Completeness [%]	99.6	96.6
Redundancy	12.9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	20% polyethylene glycol (PEG) 550 monomethyl ether (MME), 10% PEG 20 000, 50 mM HEPES, 50 mM MOPS