3CXK

1.7 A Crystal structure of methionine-R-sulfoxide reductase from Burkholderia pseudomallei: crystallization in a microfluidic crystal card.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-11
Detector	CUSTOM-MADE
Wavelength(s)	0.979315
Spacegroup name	P 1
Unit cell lengths	41.997, 45.171, 45.402
Unit cell angles	88.41, 83.73, 69.10

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.167
Rwork	0.166
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cez
RMSD bond length	0.015
RMSD bond angle	1.408
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.068	0.051	0.423
Number of reflections	32539
<I/σ(I)>	8
Completeness [%]	95.3	95.3	87.4
Redundancy	3.6	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROFLUIDIC MICROBATCH IN A CRYSTAL CARD	4.5	293	30% MPD, 0.1M Acetate, 25% PEG 1500, pH 4.5, MICROFLUIDIC MICROBATCH IN A CRYSTAL CARD, temperature 293K