7RHD

darkmRuby M94T/F96Y mutant at pH 7.5

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	90.451, 37.507, 69.123
Unit cell angles	90.00, 111.94, 90.00

Refinement procedure

Resolution	32.320 - 1.900
R-factor	0.1935
Rwork	0.191
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u0m
RMSD bond length	0.008
RMSD bond angle	1.555
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.240	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	16938	1051
<I/σ(I)>	7.6
Completeness [%]	98.3
Redundancy	3.35
CC(1/2)	0.996	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1 M HEPES: NaOH, pH 7.5, 20 % (w/v) PEG 8000