3BB5

CRYSTAL STRUCTURE OF A DIMERIC FERREDOXIN-LIKE PROTEIN OF UNKNOWN FUNCTION (JANN_3925) FROM JANNASCHIA SP. CCS1 AT 2.30 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	2007-10-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537, 0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	147.721, 66.323, 110.452
Unit cell angles	90.00, 93.41, 90.00

Refinement procedure

Resolution	29.841 - 2.300
R-factor	0.181
Rwork	0.179
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.566
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]	29.841	29.841	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.122	0.047	0.907
Total number of observations		1874	12864
Number of reflections	47632
<I/σ(I)>	5.4	12.2	0.8
Completeness [%]	99.9	95.8	100
Redundancy	3.7	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 10.0% PEG 6000, 0.1M Citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K