4NON

Crystal structure of GDP-bound A143S mutant of the S. thermophilus FeoB G-domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	43.684, 120.768, 49.291
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	49.220 - 2.500
R-factor	0.2112
Rwork	0.209
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.876
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.384	49.171	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.042	0.505
Total number of observations		2023	8762
Number of reflections	17501
<I/σ(I)>	8	14	1.4
Completeness [%]	99.0	99.6	99.3
Redundancy	3.3	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	0.2 M Sodium Chloride, 0.1 M Bis-Tris pH 5.7, 27 % (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K