6W5F

Class D beta-lactamase BSU-2 delta mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	67.264, 67.271, 254.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.600 - 1.500
R-factor	0.1546
Rwork	0.153
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ctm
RMSD bond length	0.005
RMSD bond angle	0.778
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.300	1.530
High resolution limit [Å]	1.500	1.500
Rmeas	0.069
Rpim	0.026	0.477
Number of reflections	181693	8825
<I/σ(I)>	14.9	1.7
Completeness [%]	98.2
Redundancy	6.7
CC(1/2)	0.999	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	4% Tacsimate pH 5.0, 12% PEG 3350