6LJI

X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-07-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	90.722, 23.066, 48.395
Unit cell angles	90.00, 109.04, 90.00

Refinement procedure

Resolution	23.636 - 1.843
R-factor	0.2805
Rwork	0.278
R-free	0.32810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qmt
RMSD bond length	0.006
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.090	38.090	1.880
High resolution limit [Å]	1.840	9.030	1.840
Rmerge	0.020	0.010	0.057
Rmeas	0.023	0.012	0.068
Rpim	0.011	0.006	0.036
Total number of observations	32240	279	1302
Number of reflections	8079	84	402
<I/σ(I)>	36.3	45.6	13.8
Completeness [%]	96.0	95.7	78.9
Redundancy	4	3.3	3.2
CC(1/2)	1.000	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	20% PEG 4000, 0.1M MES pH 6.0