4NK3

Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-09
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.751, 72.127, 106.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.17582
Rwork	0.174
R-free	0.21319
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.245
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	27131
<I/σ(I)>	8.3	1.9
Completeness [%]	97.1	94.7
Redundancy	9.1	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	18% PEG 3350, 10% isopropanol, 100 mM Imidazole, pH=6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K