2IT9

Crystal structure of a protein with unknown function from DUF155 family (YP_292156.1) from Prochlorococcus sp. NATL2A at 1.80 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	2006-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9740, 0.9800, 0.9799
Spacegroup name	P 21 21 21
Unit cell lengths	59.723, 81.021, 124.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.884 - 1.800
R-factor	0.181
Rwork	0.179
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.633
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.884	67.880	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.060	0.032	0.665
Total number of observations		2371	14813
Number of reflections	56456
<I/σ(I)>	8	13.5	1.1
Completeness [%]	99.7	96.3	100
Redundancy	3.6	3.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	8	277	1.0M LiCl, 10.0% PEG-6000, 0.1M TRIS, pH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K