3F7S

CRYSTAL STRUCTURE OF A NTF2-LIKE PROTEIN OF UNKNOWN FUNCTION (PP_4556) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.11 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2008-10-13
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	65.920, 65.920, 89.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.476 - 2.110
R-factor	0.179
Rwork	0.177
R-free	0.21700
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.476	29.476	2.190
High resolution limit [Å]	2.110	4.530	2.110
Rmerge	0.120	0.041	0.986
Number of reflections	11917	2204	2296
<I/σ(I)>	9.68	28.2	1.6
Completeness [%]	99.9	99.5	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.8000M K2HPO4, 0.2000M Li2SO4, 1.2000M NaH2PO4, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K