4GKU

Crystal structure of beta lactamase in PET-15B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-25
Detector	MAR CCD 165 mm
Wavelength(s)	1.2605
Spacegroup name	P 21 21 21
Unit cell lengths	47.009, 72.817, 74.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.917 - 1.915
R-factor	0.1664
Rwork	0.163
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.016
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.910	1.910
Number of reflections	37743
Completeness [%]	98.1	89.3
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.2M magnesium chloride, 0.1M BIS-Tris, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, temperature 293K