6NI0

Crystal Structure of the Beta Lactamase Class D YbxI from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	43.204, 43.204, 256.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.606 - 2.300
R-factor	0.2128
Rwork	0.211
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4gn2
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.199
Number of reflections	11782	525
<I/σ(I)>	10.2	1.35
Completeness [%]	99.1	94.8
Redundancy	4.8	3.6
CC(1/2)		0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	1.6 M ammonium sulfate, 0.1 M MES pH 6.5, 10 % dioxane