6CPZ

Selenomethionine mutant (I6Sem) 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	27.890, 36.489, 48.940
Unit cell angles	90.00, 98.67, 90.00

Refinement procedure

Resolution	27.571 - 1.120
R-factor	0.1379
Rwork	0.137
R-free	0.15610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qmt
RMSD bond length	0.008
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.571	1.160
High resolution limit [Å]	1.120	1.120
Rmerge	0.018
Rmeas	0.025
Rpim	0.018
Number of reflections	69779
<I/σ(I)>	12.98
Completeness [%]	97.4
Redundancy	2
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	283.15	48% MPD 20% IPA 25 mM sodium acetate buffer pH 4.7 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 and 2 mM TCEP