2Q8U

CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98086
Spacegroup name	P 1 21 1
Unit cell lengths	47.598, 113.414, 80.951
Unit cell angles	90.00, 101.77, 90.00

Refinement procedure

Resolution	37.450 - 2.200
R-factor	0.2
Rwork	0.198
R-free	0.24100
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.428
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.450	37.450	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.043	0.023	0.533
Total number of observations		1113	7983
Number of reflections	56132
<I/σ(I)>	11.3	26.2	0.9
Completeness [%]	98.8	84.7	99.5
Redundancy	2.6	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.57	277	NANODROP, 10.3% PEG 6000, 0.1M MES pH 5.57, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	5.14	277	NANODROP, 2.5% PEG 6000, 0.1M MES pH 5.14, VAPOR DIFFUSION, SITTING DROP, temperature 277K