6C9O

Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	27.506, 36.497, 48.843
Unit cell angles	90.00, 99.24, 90.00

Refinement procedure

Resolution	29.099 - 1.200
R-factor	0.1522
Rwork	0.151
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qmt
RMSD bond length	0.010
RMSD bond angle	1.338
Data reduction software	XDS
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.026	0.120
Rmeas	0.036	0.170
Rpim	0.026	0.120
Number of reflections	29169	2768
<I/σ(I)>	9.36
Completeness [%]	97.0	93.82
Redundancy	2	2
CC(1/2)	0.969	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	283.15	46% MPD, 20% IPA, 25 mM sodium acetate pH 4.5