6HBS

Structure of PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein

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	2018-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	63.180, 104.419, 65.250
Unit cell angles	90.00, 109.26, 90.00

Refinement procedure

Resolution	46.830 - 1.650
R-factor	0.17099
Rwork	0.169
R-free	0.20189
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bs8
RMSD bond length	0.010
RMSD bond angle	1.391
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.830	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.057	0.676
Rmeas	0.068	0.818
Rpim	0.037	0.456
Number of reflections	95437	9514
<I/σ(I)>	12.4	1.57
Completeness [%]	99.6	99.09
Redundancy	3.2	3
CC(1/2)	0.999	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M HEPES, pH 7.0 0.1 M Ammonium Sulfate 30 % (w/v) Polyacrylate, sodium salt