2HQ9

Crystal structure of a fad-binding protein (mll6688) from mesorhizobium loti at 1.95 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	2006-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918370, 0.979197
Spacegroup name	P 21 21 21
Unit cell lengths	47.852, 74.895, 84.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.488 - 1.950
R-factor	0.183
Rwork	0.180
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.645
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.488	29.490	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.093	0.049	0.648
Total number of observations		802	5816
Number of reflections	22592
<I/σ(I)>	6.6	10.2	1.2
Completeness [%]	99.1	89.3	99.7
Redundancy	3.5	3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	8.5	277	2.0M (NH4)2SO4, 0.1M TRIS pH 8.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K