2H1T

Crystal structure of a duf1089 family protein (pa1994) from pseudomonas aeruginosa at 1.80 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	2006-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979291, 0.911617, 0.978940
Spacegroup name	C 1 2 1
Unit cell lengths	130.030, 41.900, 78.650
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	28.270 - 1.800
R-factor	0.172
Rwork	0.170
R-free	0.21300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.270		1.860
High resolution limit [Å]	1.800	3.070	1.800
Rmerge	0.083	0.048	0.494
Number of reflections	38719	7605	4637
<I/σ(I)>	7.08	13.9	1.39
Completeness [%]	96.6	98	78.7
Redundancy	3.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	5.0% MPD, 10.0% PEG-6000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K