3C1A

Crystal structure of a putative oxidoreductase (ZP_00056571.1) from Magnetospirillum magnetotacticum MS-1 at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97953, 0.97939
Spacegroup name	P 21 21 2
Unit cell lengths	94.658, 86.361, 87.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.988 - 1.850
R-factor	0.216
Rwork	0.214
R-free	0.25600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.503
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.988	29.988	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.145	0.054	0.885
Total number of observations		2516	15846
Number of reflections	61976
<I/σ(I)>	7.7	23.4	2
Completeness [%]	99.7	97.6	98.5
Redundancy	3.6	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 19.6% PEG 3350, 0.15M Di-ammonium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K