7RCF

Fourth stage reengineered variant of I-OnuI with stability enhancing substitutions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	108
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999993
Spacegroup name	P 21 21 21
Unit cell lengths	41.550, 64.055, 171.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.383 - 2.233
R-factor	0.1933
Rwork	0.190
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.005
RMSD bond angle	0.724
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.310
High resolution limit [Å]	2.230	4.800	2.230
Rmerge	0.060	0.049	0.174
Rmeas	0.063	0.051	0.182
Rpim	0.018	0.015	0.053
Total number of observations	282390
Number of reflections	23064	2502	2268
<I/σ(I)>	13.6
Completeness [%]	100.0	99.8	100
Redundancy	12.2	11.4	11.7
CC(1/2)		0.999	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM HEPES pH 7.5, 200mM ammonium sulfate, 35% PEG 3350