4ZMC

Crystal structure of the PmFTN variant E130A soaked in iron (5 min)

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	174.980, 174.980, 174.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.530 - 1.900
R-factor	0.1707
Rwork	0.169
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zlw
RMSD bond length	0.019
RMSD bond angle	1.804
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.1.03)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.530	48.531	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.028	1.124
Rmeas	0.118
Rpim	0.031	0.008	0.321
Total number of observations	1993287	66858	284213
Number of reflections	139649
<I/σ(I)>	16.8	46.7	2.5
Completeness [%]	100.0	99.4	100
Redundancy	14.3	14.5	14

Crystallization Conditions

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