7DE0

Crystal structure of FtmOx1 Y224F mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	98
Detector technology	PIXEL
Collection date	2018-11-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	45.436, 136.740, 180.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.728 - 2.400
R-factor	0.2179
Rwork	0.215
R-free	0.26310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y5t
RMSD bond length	0.007
RMSD bond angle	0.866
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL2Map
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.123	0.081	0.429
Rmeas	0.130	0.085	0.483
Rpim	0.040	0.024	0.212
Total number of observations	356990
Number of reflections	45093	4837	4199
<I/σ(I)>	6.3
Completeness [%]	98.9	99.5	94.6
Redundancy	7.9	11.4	4.3
CC(1/2)		0.995	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	100 mM Bicine, 300mM MgCl2, PEG 2000