3OKE

Crystal structure of S25-39 in complex with Ko

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-16
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	44.959, 81.245, 127.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.356 - 2.400
R-factor	0.2246
Rwork	0.221
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.182
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.880	19.880	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.083	0.044	0.330
Number of reflections	18047
<I/σ(I)>	8	17.1	3.3
Completeness [%]	95.2	92.9	99.2
Redundancy	3.85	3.17	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	6.5	289	PEG 3350, MPD, ZnAc, NaCacod, pH 6.5, hanging drop, temperature 289K