6X1Z

Mre11 dimer in complex with small molecule modulator PFMJ

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	2010-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115842
Spacegroup name	P 1 21 1
Unit cell lengths	47.260, 109.440, 75.650
Unit cell angles	90.00, 99.97, 90.00

Refinement procedure

Resolution	37.250 - 1.900
R-factor	0.2012
Rwork	0.200
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nzv
RMSD bond length	0.008
RMSD bond angle	1.065
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.250	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.107
Number of reflections	56599	2886
<I/σ(I)>	9.39
Completeness [%]	95.2
Redundancy	5.97
CC(1/2)	0.991	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5, 0.02 M MgCl2, 0.5% PEG 3350