9CRY

CtfAB E46S active site mutant inactive

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-12
Detector	MAR CCD 300 mm
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	131.339, 131.339, 158.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 2.600
R-factor	0.1882
Rwork	0.186
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.283
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.206	1.223
Rmeas	0.214
Number of reflections	43327	4274
<I/σ(I)>	13.49	2.09
Completeness [%]	99.9	99.98
Redundancy	13.8
CC(1/2)	0.996	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	100 mM Na Acetate (pH 4.9-5.5), 6-10% PEG 3350