4ZLW

Crystal structure of the PmFTN variant E130A soaked in iron (overnight)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 2 3
Unit cell lengths	175.051, 175.051, 175.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.550 - 2.000
R-factor	0.1886
Rwork	0.187
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zkh
RMSD bond length	0.019
RMSD bond angle	1.799
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.550	46.784	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.025	1.135
Rmeas	0.115
Rpim	0.031	0.008	0.330
Total number of observations	1670804	56205	237246
Number of reflections	120022
<I/σ(I)>	14.9	45	2.4
Completeness [%]	100.0	98.5	100
Redundancy	13.9	14.3	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Sodiaum acetate pH 5.5, Ammonium sulfate, NaCl