6K87

The closed state of RGLG1 VWA domain with MIDAS is occupied by water

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978897
Spacegroup name	P 21 21 21
Unit cell lengths	42.789, 73.690, 82.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.978 - 1.502
R-factor	0.1943
Rwork	0.193
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.189	0.120	0.949
Rmeas	0.201	0.128	1.027
Rpim	0.067	0.043	0.371
Total number of observations	313357
Number of reflections	39569	2177	1504
<I/σ(I)>	3.5
Completeness [%]	93.6	94	72.9
Redundancy	7.9	8.1	6.2
CC(1/2)		0.986	0.259

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	50 mM LiSO4, 50 mM NaSO4, 0.1 M Mes ph 6.5, 30%PEG8k