7RCC

First stage engineered variant of I-OnuI after initial reassembly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	108
Detector technology	PIXEL
Collection date	2019-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977408
Spacegroup name	P 21 21 21
Unit cell lengths	63.841, 119.741, 165.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.450
R-factor	0.224
Rwork	0.222
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.004
RMSD bond angle	0.648
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	2.540
High resolution limit [Å]	2.450	5.280	2.450
Rmerge	0.087	0.041	0.531
Rmeas	0.093	0.044	0.577
Rpim	0.032	0.015	0.219
Number of reflections	47055	5002	4576
<I/σ(I)>	7.9
Completeness [%]	99.9	100	99.2
Redundancy	8.3	8.3	6.4
CC(1/2)		0.999	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM TRIS pH 7.5, 50mM ammonium sulfate, 30% pentaerythritol ethoxylate 15/4 EO/OH