3WS0

N288Q-N321Q mutant BETA-LACTAMASE DERIVED FROM CHROMOHALOBACTER SP.560 (Condition-1A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000, 2.066
Spacegroup name	P 31
Unit cell lengths	115.393, 115.393, 67.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.880 - 2.000
R-factor	0.19202
Rwork	0.190
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wrz
RMSD bond length	0.009
RMSD bond angle	1.417
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.041	0.312
Number of reflections	66954
<I/σ(I)>	18.4	7.9
Completeness [%]	99.2	99.9
Redundancy	5.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Crystal was grown in a solution containing 100mM MES-NaOH buffer (pH 6.5), 200mM Ca acetate hydrate and 18% PEG 8000. Obtained crystal was soaked into a solution containing 100mM MES-NaOH buffer (pH 6.5), 200mM Ca acetate hydrate, 100mM CsCl and 18% PEG8000., VAPOR DIFFUSION, SITTING DROP, temperature 293K