3BOS

Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 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	2007-11-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97932, 0.91837
Spacegroup name	P 21 21 21
Unit cell lengths	55.037, 64.032, 153.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.553 - 1.750
R-factor	0.168
Rwork	0.166
R-free	0.20100
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.474
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]	29.553	29.553	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.102	0.060	0.643
Total number of observations		2221	14990
Number of reflections	55436
<I/σ(I)>	5.2	9.7	1.2
Completeness [%]	99.7	94.1	100
Redundancy	3.7	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	NANODROP, 0.2M Sodium thiocyanate, 20% PEG 3350, No Buffer pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K