3NPG

Crystal structure of a protein with unknown function from DUF364 family (PH1506) from PYROCOCCUS HORIKOSHII at 2.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	74.541, 95.179, 159.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.346 - 2.700
R-factor	0.206
Rwork	0.204
R-free	0.23500
Structure solution method	MR
Starting model (for MR)	3l5o
RMSD bond length	0.009
RMSD bond angle	0.520
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	Rosetta
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.346	95.350	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.245	0.076	0.981
Total number of observations		1696	11828
Number of reflections	31874
<I/σ(I)>	6.9	5.3	0.8
Completeness [%]	100.0	99.5	100
Redundancy	5	4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.3000M ammonium acetate, 24.0000% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K