3D7Q

Crystal structure of a xisi-like protein (npun_ar114) from nostoc punctiforme pcc 73102 at 2.30 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	2008-04-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97937,0.97854
Spacegroup name	P 43 21 2
Unit cell lengths	79.846, 79.846, 74.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.228 - 2.300
R-factor	0.208
Rwork	0.206
R-free	0.25900
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.487
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.228	28.230	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.088	0.047	0.766
Total number of observations		794	5800
Number of reflections	11187
<I/σ(I)>	6.5	11.6	1
Completeness [%]	99.9	95	100
Redundancy	7	5.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.15M lithium sulfate, 26.0% polyethylene glycol 4000, 0.1M TRIS pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K