1ION

THE SEPTUM SITE-DETERMINING PROTEIN MIND COMPLEXED WITH MG-ADP FROM PYROCOCCUS HORIKOSHII OT3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-14
Detector	MARRESEARCH
Wavelength(s)	0.979076, 0.979389, 0.89999
Spacegroup name	P 21 3
Unit cell lengths	96.590, 96.590, 96.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.188 *
Rwork	0.228
R-free	0.22700 *
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	23.450 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.184
Total number of observations	270283 *
Number of reflections	13617	1953 *
<I/σ(I)>	6.4	4.3
Completeness [%]	100.0	100
Redundancy	19.8	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	20 *	MPD, SODIUM ACETATE, CALCIUM CHLORIDE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10.0 (mg/ml)
2	1	drop	sodium acetate	50 (mM)
3	1	drop	MPD	15 (%)
4	1	drop		10 (mM)
5	1	reservoir	sodium acetate	100 (mM)
6	1	reservoir	MPD	30 (%)
7	1	reservoir		20 (mM)