3ISY

Crystal structure of an intracellular proteinase inhibitor (ipi, bsu11130) from bacillus subtilis at 2.61 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	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97934
Spacegroup name	I 41 2 2
Unit cell lengths	73.586, 73.586, 132.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.959 - 2.610
R-factor	0.205
Rwork	0.203
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.521
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]	37.959	37.959	2.700
High resolution limit [Å]	2.610	5.590	2.610
Rmerge	0.093	0.010	0.010
Number of reflections	5864	661	529
<I/σ(I)>	16.53	36	2.2
Completeness [%]	99.9	99.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.7	293	48.50% polyethylene glycol 600, 0.1M CHES pH 9.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K