7CTC

FECH - inhibitor complex 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	88.723, 93.737, 108.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
Rwork	0.207
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w1w
RMSD bond length	0.009
RMSD bond angle	0.964
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.660
Number of reflections	61965	5753
<I/σ(I)>	22.4
Completeness [%]	98.5
Redundancy	4.4
CC(1/2)	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M PCB buffer pH 5.6, 15% PEG 3350