6QSM

mTFP* open conformation: I197C-Y200H-Y204H mutant for enhanced metal binding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-02
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.958, 70.549, 74.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.650
R-factor	0.15274
Rwork	0.152
R-free	0.19612
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hqk
RMSD bond length	0.006
RMSD bond angle	1.608
Data reduction software	DENZO
Data scaling software	PROTEUM PLUS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.059	0.437
Number of reflections	24258
<I/σ(I)>	15.1	2.9
Completeness [%]	99.9	99.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 22% PEG 3000