4HZ3

MthK pore crystallized in presence of TBSb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	93
Detector technology	CCD
Collection date	2011-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	43.965, 63.396, 63.311
Unit cell angles	89.99, 89.95, 90.00

Refinement procedure

Resolution	36.128 - 1.700
R-factor	0.1736
Rwork	0.173
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ldc
RMSD bond length	1.100
RMSD bond angle	0.009
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.4.0)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.048	0.028	0.677
Number of reflections	73276
<I/σ(I)>	13.1
Completeness [%]	96.4	99	93.2
Redundancy	3.3	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	3.5 4.0M 1,6-hexanediol, 100mM MES, 10mM TBSb , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K