5MJG

Single-shot pink beam serial crystallography: Thaumatin

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	293
Detector technology	CCD
Collection date	2016-07-10
Detector	RAYONIX MX340-HS
Wavelength(s)	1.1-1.3
Spacegroup name	P 41 21 2
Unit cell lengths	58.400, 58.400, 152.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.100
R-factor	0.15638687993
Rwork	0.154
R-free	0.19958
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KWN
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	Epinorm
Phasing software	PHASER
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	1.980	2.100
Rmerge	0.041
Number of reflections	6850
<I/σ(I)>	38.2
Completeness [%]	36.6	12.7
Redundancy	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Sodium Tartrate