3NPD

Crystal structure of a putative secreted protein (PA3611) from PSEUDOMONAS AERUGINOSA at 1.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97941,0.97925
Spacegroup name	P 21 21 21
Unit cell lengths	34.989, 51.317, 56.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.909 - 1.600
R-factor	0.1623
Rwork	0.160
R-free	0.20460
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.696
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.909	28.909	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.060	0.033	0.473
Number of reflections	14032	2551	2635
<I/σ(I)>	7.97	20.4	1.5
Completeness [%]	98.5	96	96.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	2.000000000M (NH4)2SO4, 0.200000000M Li2SO4, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K