7LNB

X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 2 (merged)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	277
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88557
Spacegroup name	P 41 21 2
Unit cell lengths	58.822, 58.822, 151.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 1.220
R-factor	0.134
Rwork	0.133
R-free	0.14540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lfg
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.270	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.135	6.955
Rpim	0.018	0.938
Number of reflections	79900	3869
<I/σ(I)>	21.5	1.1
Completeness [%]	100.0	99.5
Redundancy	60.3	54.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	24% Na K Tartrate (w/v), 15% ethylene glycol (v/v), and 0.1 M BisTris Propane