3IJH

Structure of S67-27 in Complex with Ko

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.460, 127.880, 156.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.871 - 2.100
R-factor	0.215
Rwork	0.213
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q9w
RMSD bond length	0.004
RMSD bond angle	0.893
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.960	19.960	2.170
High resolution limit [Å]	2.100	4.510	2.100
Rmerge	0.068	0.039	0.253
Total number of observations		23019	22531
Number of reflections	54952
<I/σ(I)>	10.4	24.1	4
Completeness [%]	99.4	98.1	99.8
Redundancy	4.12	3.95	4.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K