3WE2

Structure of BLM RQC domain bound to a phosphate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	90
Detector technology	CCD
Collection date	2010-10-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	59.218, 59.218, 210.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
Rwork	0.237
R-free	0.27100
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.413
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.055	0.359
Number of reflections	10768
<I/σ(I)>	14.7	4.2
Completeness [%]	98.2	87.6
Redundancy	12.7	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.4	293	20-25% PEG 4000, 50mM sodium phosphate, 150mM sodium acetate, 100mM Tris-HCl, 15%(v/v) glycerol, pH 8.4, VAPOR DIFFUSION, temperature 293K
2