4LWK

Crystal structure of methionine sulfoxide reductase U16S from clostridium oremlandii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-30
Detector	ADSC QUANTUM 210
Spacegroup name	P 32
Unit cell lengths	81.030, 81.030, 66.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.520 - 1.800
R-factor	0.173
Rwork	0.171
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lwj
RMSD bond length	0.007
RMSD bond angle	1.003
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.830
High resolution limit [Å]	1.799	1.800
Number of reflections	45156
Completeness [%]	99.4	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 30%(V/V) PEG 5000, 0.2M AMMONIUM SULFATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K