6OTV

Crystal structure of putative isomerase EC2056

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-13
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97927
Spacegroup name	P 32
Unit cell lengths	77.416, 77.416, 174.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.902 - 2.400
R-factor	0.1776
Rwork	0.176
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g7k.pdb
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.034	0.018	0.657
Rmeas	0.038	0.020	0.735
Rpim	0.017	0.009	0.325
Total number of observations	232618
Number of reflections	45725	2294	2329
<I/σ(I)>	14.4
Completeness [%]	99.8	99.7	99.9
Redundancy	5.1	5.2	5
CC(1/2)		0.999	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	297	1.26M sodium phosphate monobasic, 0.14M postassium phosphate dibasic