3GYD

Crystal structure of a cyclic nucleotide-binding domain (mfla_1926) from methylobacillus flagellatus kt at 1.79 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97956, 0.97944
Spacegroup name	P 1 21 1
Unit cell lengths	60.032, 39.745, 70.977
Unit cell angles	90.00, 101.85, 90.00

Refinement procedure

Resolution	29.374 - 1.790
R-factor	0.17
Rwork	0.168
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.569
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.374	29.374	1.840
High resolution limit [Å]	1.790	8.010	1.790
Rmerge	0.090	0.041	0.559
Total number of observations		1070	4786
Number of reflections	30961
<I/σ(I)>	6.144	15.2	1.1
Completeness [%]	99.1	96	90.8
Redundancy	3	2.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	277	NANODROP, 36.0% PEG 3000, 0.1M CHES pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K