3JTW

Crystal structure of Putative dihydrofolate reductase (YP_805003.1) from PEDIOCOCCUS PENTOSACEUS ATCC 25745 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97943,0.97959
Spacegroup name	P 21 21 2
Unit cell lengths	69.759, 83.314, 65.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.476 - 1.900
R-factor	0.184
Rwork	0.182
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.569
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.476	29.480	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.107	0.037	0.598
Total number of observations		1351	8910
Number of reflections	30501
<I/σ(I)>	8.5	16.3	1.2
Completeness [%]	99.8	95.6	100
Redundancy	4	3.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	277	2.0000M (NH4)2SO4, 5.0000% iso-Propanol, 0.1M Citrate pH 4.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K