4MMN

Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97880
Spacegroup name	H 3
Unit cell lengths	158.902, 158.902, 194.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.089 - 2.600
R-factor	0.1971
Rwork	0.196
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mmh
RMSD bond length	0.009
RMSD bond angle	1.190
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.389
Number of reflections	54183
<I/σ(I)>	14.205	1.4
Completeness [%]	96.2	73.6
Redundancy	4.9	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.17M ammonium acetate, 0.085M sodium acetate trihydrate (pH 4.6), 25.5% polyethylene glycol 4000, 15% glycerol. , VAPOR DIFFUSION, HANGING DROP, temperature 293K