2F22

CRYSTAL STRUCTURE OF A PUTATIVE DNA DAMAGE-INDUCABLE (DINB) PROTEIN (BH3987) FROM BACILLUS HALODURANS AT 1.42 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9796, 0.9797
Spacegroup name	P 21 21 21
Unit cell lengths	49.358, 77.705, 80.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.590 - 1.420
Rwork	0.157
R-free	0.18200
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.432
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.300	24.300	1.460
High resolution limit [Å]	1.350	6.350	1.420
Rmerge	0.092	0.069	0.484
Number of reflections	58327
<I/σ(I)>	5.9	8.6	1.5
Completeness [%]	98.9
Redundancy	4.8	5.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.6	277	0.2M (NH4)2 Tartrate, 20.0% PEG-3350, No Buffer, pH 6.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K