4NKP

Crystal structure of a putative extracellular heme-binding protein (DESPIG_02683) from Desulfovibrio piger ATCC 29098 at 1.24 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	PIXEL
Collection date	2013-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97879,0.97812
Spacegroup name	P 4
Unit cell lengths	80.964, 80.964, 72.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.625 - 1.240
R-factor	0.1291
Rwork	0.128
R-free	0.14940
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.625		1.280
High resolution limit [Å]	1.240	2.670	1.240
Rmerge	0.033	0.014	0.539
Number of reflections	131689	24864	22097
<I/σ(I)>	14.7	50.6	1.7
Completeness [%]	96.3	94.4	92.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2.4M ammonium sulfate, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K