7PLC

Caulobacter crescentus xylonolactonase with D-xylose, P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	45.776, 82.207, 159.240
Unit cell angles	90.00, 97.69, 90.00

Refinement procedure

Resolution	157.810 - 2.150
R-factor	0.2005
Rwork	0.198
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gn7
RMSD bond length	0.003
RMSD bond angle	0.630
Data reduction software	XDS (Jan 26, 2018 (BUILT 20180808))
Data scaling software	Aimless (0.7.3)
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.310	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.124	0.752
Rmeas	0.175	1.064
Rpim	0.124	0.752
Number of reflections	74548	6523
<I/σ(I)>	3.2	0.7
Completeness [%]	91.7	80.7
Redundancy	1.9	2
CC(1/2)	0.988	0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Ammonium sulfate, PEG 400, HEPES buffer