7RCG

I-OnuI_e-hPD1-f final stage reengineered variant of I-OnuI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108
Detector technology	CCD
Collection date	2019-07-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	45.195, 64.903, 165.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.952 - 2.368
R-factor	0.2063
Rwork	0.201
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qqy
RMSD bond length	0.004
RMSD bond angle	0.674
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.450
High resolution limit [Å]	2.368	5.100	2.370
Rmerge	0.068	0.045	0.216
Rmeas	0.076	0.052	0.243
Rpim	0.033	0.026	0.108
Number of reflections	19975	1794	1926
<I/σ(I)>	11.5
Completeness [%]	97.3	80.6	97.4
Redundancy	5	3.2	4.7
CC(1/2)		0.997	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM HEPES pH 7.5, 200mM ammonium sulfate, 28% PEG 3350