5U8O

Crystal Structure of Beta-lactamase domain protein, from Burkholderia multivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	45.520, 106.830, 144.330
Unit cell angles	90.00, 91.30, 90.00

Refinement procedure

Resolution	48.098 - 2.400
R-factor	0.1652
Rwork	0.163
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i0p
RMSD bond length	0.007
RMSD bond angle	0.916
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.098	48.098	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.072	0.022	0.536
Rmeas	0.079
Total number of observations	286070
Number of reflections	53172
<I/σ(I)>	17.83	44.38	3
Completeness [%]	98.4	96.2	98
Redundancy	5.38	4.537	5.463
CC(1/2)	0.999	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	MCSG1: 0.2 M Calcium Chloride 0.1 M Tris: HCl, pH 8.5 25 % (w/v) PEG 4000