8XLA

Mismatch Repair Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97864
Spacegroup name	I 2 2 2
Unit cell lengths	160.750, 212.040, 255.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.700 - 3.500
R-factor	0.2675
Rwork	0.267
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	iMOSFLM (7.3.0)
Data scaling software	Aimless (7.1.012)
Phasing software	PHASER (7.1.012)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.130	3.600
High resolution limit [Å]	3.500	3.500
Rpim	0.060	0.524
Number of reflections	54175	4442
<I/σ(I)>	18	1.7
Completeness [%]	98.3	99
Redundancy	5.4	5.4
CC(1/2)	0.996	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	10-14% (w/v) PEG 5000 MME, 0.1M citrate buffer (pH 5.5), 0.2-0.5M Ammonium Sulphate