6OZ7

Putative oxidoreductase from Escherichia coli str. K-12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	54.819, 72.210, 119.945
Unit cell angles	82.59, 87.03, 67.82

Refinement procedure

Resolution	48.140 - 1.360
R-factor	0.1255
Rwork	0.123
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dml
RMSD bond length	0.010
RMSD bond angle	1.589
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.140	48.140	1.380
High resolution limit [Å]	1.360	3.690	1.360
Rmerge	0.041	0.032	0.516
Rmeas	0.052	0.040	0.669
Rpim	0.031	0.024	0.421
Number of reflections	320625	17605	7802
<I/σ(I)>	16.7		1.44
Completeness [%]	88.3	96.9	43.2
Redundancy	2.5	2.6	2.1
CC(1/2)		0.997	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	28% PEG 400, 0.2M CaCl2, 0.1M Hepes buffer