6L91

X-ray structure of synthetic GB1 domain with the mutation K10(DVA).

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	2018-07-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	45.690, 45.690, 47.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.398 - 1.842
R-factor	0.1674
Rwork	0.166
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qmt
RMSD bond length	0.007
RMSD bond angle	0.792
Data reduction software	HKL-2000
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.610	1.880
High resolution limit [Å]	1.840	1.842
Rmerge	0.025	0.042
Rmeas	0.027	0.047
Rpim	0.010	0.021
Total number of observations	36249
Number of reflections	5245	313
<I/σ(I)>	58.3
Completeness [%]	99.7	95.8
Redundancy	6.9	4.8
CC(1/2)	1.000	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	0.1M NaCacodylate (pH 5.5), 20% PEG 4000