3QKB

Crystal structure of a Protein with unknown function which belongs to Pfam DUF74 family (PEPE_0654) from Pediococcus pentosaceus ATCC 25745 at 2.73 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929
Spacegroup name	P 21 21 2
Unit cell lengths	110.296, 67.301, 85.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.727 - 2.730
R-factor	0.2037
Rwork	0.202
R-free	0.23930
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.295
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.727	47.727	2.830
High resolution limit [Å]	2.730	5.840	2.730
Rmerge	0.100	0.044	0.757
Number of reflections	17422	1864	1768
<I/σ(I)>	10.92	24.8	2.1
Completeness [%]	98.8	95.7	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	30.00% MPD, 0.200M NH4OAc, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K