2RIL

Crystal structure of a putative monooxygenase (YP_001095275.1) from Shewanella loihica PV-4 at 1.26 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537, 0.9797, 0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	48.931, 63.155, 27.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.528 - 1.260
R-factor	0.141
Rwork	0.140
R-free	0.16200
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.599
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.3.0040)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.528	26.528	1.290
High resolution limit [Å]	1.260	5.630	1.260
Rmerge	0.059	0.053	1.314
Total number of observations		898	53
Number of reflections	14880
<I/σ(I)>	6.5	9.3	0.7
Completeness [%]	63.3	82.2	3.1
Redundancy	3.2	3.5	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 40.0% 1,2-propanediol, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K