3F7C

Crystal structure of a duf416 family protein (maqu_0942) from marinobacter aquaeolei vt8 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645,0.97967
Spacegroup name	P 64
Unit cell lengths	76.998, 76.998, 91.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.424 - 2.000
R-factor	0.173
Rwork	0.172
R-free	0.19600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.503
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.424	29.430	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.089	0.085	0.835
Total number of observations		2471	8658
Number of reflections	20811
<I/σ(I)>	4.107	5.3	0.9
Completeness [%]	100.0	97.3	99.8
Redundancy	7.4	10.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	1.0M sodium citrate, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K