5OJC

Structure of MbQ2.1 NMH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	34.532, 51.800, 39.660
Unit cell angles	90.00, 98.82, 90.00

Refinement procedure

Resolution	39.191 - 1.250
R-factor	0.1938
Rwork	0.193
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5oj9
RMSD bond length	0.006
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.191	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.041	0.486
Number of reflections	36215	1764
<I/σ(I)>	11.4	2
Completeness [%]	94.9	93.7
Redundancy	3.4	3.5
CC(1/2)	0.998	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M SPG (pH 7.0), 30% PEG1500