4XUL

Crystal structure of M. chilensis Mg662 protein complexed with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9801
Spacegroup name	P 43 21 2
Unit cell lengths	99.360, 99.360, 168.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.880 - 2.260
R-factor	0.1922
Rwork	0.191
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4AMS
RMSD bond length	0.003
RMSD bond angle	0.752
Data reduction software	XDS
Data scaling software	Aimless (0.3.5)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	168.990	168.990	2.610
High resolution limit [Å]	2.260	4.520	2.260
Rmerge	0.127	0.109	0.689
Rpim	0.037	0.033	0.195
Total number of observations	529090	65835	184276
Number of reflections	40442
<I/σ(I)>	13	24	4
Completeness [%]	100.0	100	100
Redundancy	13.1	12.2	13.3
CC(1/2)	0.993	0.990	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	Protein concentration: 5-12 mg/mL in 10 mM CAPS, 150 mM NaCl, pH 10.5 Reservoir solution: 0.05 M MES, 0.08 M Ammonium acetate pH 6.4 Soaking 0.5 mM GTP, UV treatment 5 minutes