6HNL

Selenomethionine derivative of IdmH 96-104 loop truncation variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-30
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	F 2 3
Unit cell lengths	152.590, 152.590, 152.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.300 - 2.200
R-factor	0.22882
Rwork	0.227
R-free	0.27284
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.371
Data reduction software	TRUNCATE
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.300	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.118
Rmeas	0.120
Rpim	0.022
Number of reflections	15068	1285
<I/σ(I)>	20.8	1.4
Completeness [%]	100.0	100
Redundancy	30.6	30.6
CC(1/2)	0.999	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.6-4 M sodium formate, 10-15% (v/v) glycerol