2R25

Complex of YPD1 and SLN1-R1 with bound Mg2+ and BeF3-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	52.013, 75.544, 98.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.750 - 1.700
R-factor	0.199
Rwork	0.196
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qsp
RMSD bond length	0.032
RMSD bond angle	2.565
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.600	1.600
Rmerge	0.048	0.390
Number of reflections	51329
<I/σ(I)>	28.8
Completeness [%]	97.9	99.6
Redundancy	6.1	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	295	2.2 M ammonium sulfate, 50 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 5.60