6MFH

Mutated Uronate Dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999
Spacegroup name	I 41 3 2
Unit cell lengths	197.098, 197.098, 197.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.685 - 2.040
R-factor	0.2073
Rwork	0.206
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ay3
RMSD bond length	0.004
RMSD bond angle	0.579
Data reduction software	xia2 (0.4.0.338)
Data scaling software	xia2
Phasing software	PHASER (1.13)
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.700	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.300	5.200
Rmeas	0.300	5.260
Rpim	0.044	0.760
Number of reflections	41593	4107
<I/σ(I)>	18
Completeness [%]	100.0	100
Redundancy	47
CC(1/2)	0.990	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M MES, pH 6.5, 30% MPD