6U97

Structure of OmcF_H47I mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91840
Spacegroup name	P 21 21 21
Unit cell lengths	38.186, 39.019, 49.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.870 - 1.130
R-factor	0.1275
Rwork	0.126
R-free	0.15280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.275
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.150
High resolution limit [Å]	1.000	1.130
Rmerge	0.054	0.304
Rmeas	0.056	0.327
Rpim	0.016	0.114
Number of reflections	31673	1901
<I/σ(I)>	42.5	4.8
Completeness [%]	99.0	95
Redundancy	11	6
CC(1/2)	0.994	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.8 M ammonium sulfate, 0.1 M Hepes pH 7.5, 2% (v/v) PEG400