6RTN

Crystal structure of OXA-10 with VNRX-5133

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	48.879, 95.620, 126.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.134 - 2.170
R-factor	0.1962
Rwork	0.195
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fq9
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.250	76.250	2.230
High resolution limit [Å]	2.170	9.700	2.170
Rmerge	0.200	0.100	0.800
Rmeas	0.259	0.106	0.931
Rpim	0.073	0.032	0.261
Number of reflections	32199	429	2354
<I/σ(I)>	7.9
Completeness [%]	100.0	99.9	100
Redundancy	12.5	10.3	12.6
CC(1/2)	0.981	0.997	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	297	0.2 M Magnesium chloride hexahydrate, 0.1 M MES, pH = 6.0, 20 % w/v PEG 6000