3FJ2

CRYSTAL STRUCTURE OF A MONOOXYGENASE-LIKE PROTEIN (LIN2316) FROM LISTERIA INNOCUA AT 1.85 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967,0.97953
Spacegroup name	P 61 2 2
Unit cell lengths	72.944, 72.944, 213.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.880 - 1.850
R-factor	0.168
Rwork	0.167
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.401
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.880	28.880	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.161	0.089	0.947
Total number of observations		4465	30636
Number of reflections	29746
<I/σ(I)>	2.986	5.3	0.8
Completeness [%]	99.9	97.6	99.8
Redundancy	14	10.5	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	1.0000M NH4H2PO3, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K