3KGY

Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 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	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922,0.97876
Spacegroup name	P 21 21 21
Unit cell lengths	55.231, 57.352, 140.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.709 - 1.500
R-factor	0.15
Rwork	0.149
R-free	0.17400
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.725
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]	29.709	29.710	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.092	0.059	0.568
Total number of observations		2920	18540
Number of reflections	72017
<I/σ(I)>	10	9.7	0.9
Completeness [%]	99.4	96.3	98.7
Redundancy	3.6	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	20.0000% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K