6UAO

Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-08-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	58.510, 58.510, 125.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.410 - 1.630
R-factor	0.1507
Rwork	0.149
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1spb
RMSD bond length	0.012
RMSD bond angle	1.715
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.730	1.660
High resolution limit [Å]	1.630	1.630
Rmerge	0.090	0.777
Rmeas	0.093	0.808
Rpim	0.025	0.222
Total number of observations	378181	17640
Number of reflections	28012	1337
<I/σ(I)>	20.6	2.8
Completeness [%]	100.0	99.8
Redundancy	13.5	13.2
CC(1/2)	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M TRIS pH 8.0, 0.2 M NaCl, 20% PEG 6K