7A70

HEW lysozyme in complex with Ti(OH)4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-08
Detector	Bruker PHOTON II
Wavelength(s)	1.540
Spacegroup name	P 43 21 2
Unit cell lengths	78.090, 78.090, 37.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.610 - 1.800
R-factor	0.1958
Rwork	0.194
R-free	0.23910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w1x
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3965: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.120	0.800
Number of reflections	20052	2909
<I/σ(I)>	16	1.73
Completeness [%]	97.8	88
Redundancy	13.7	8.4
CC(1/2)	0.990	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.5 M Tris-HCl, 0.7 M NaCl