6X1Y

Mre11 dimer in complex with small molecule modulator PFMI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115850
Spacegroup name	P 1 21 1
Unit cell lengths	47.199, 109.147, 75.996
Unit cell angles	90.00, 99.93, 90.00

Refinement procedure

Resolution	44.100 - 2.350
R-factor	0.2098
Rwork	0.208
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nzv
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.100	2.390
High resolution limit [Å]	2.350	2.350
Rmeas	0.095
Rpim	0.049
Number of reflections	58497	1542
<I/σ(I)>	29.3
Completeness [%]	98.3
Redundancy	3.7
CC(1/2)		0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5, 0.01 M CaCl2, 1% PEG 2000