6JX1

Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-28
Detector	MAR CCD 130 mm
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	141.496, 53.910, 117.063
Unit cell angles	90.00, 121.37, 90.00

Refinement procedure

Resolution	42.772 - 2.233
R-factor	0.1884
Rwork	0.187
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2go1
RMSD bond length	0.004
RMSD bond angle	0.852
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.230	0.530
Number of reflections	27557	1285
<I/σ(I)>	4.33	1.68
Completeness [%]	74.6	35.56
Redundancy	2.7	2.6
CC(1/2)	0.879	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000.