2GD9

Crystal structure of a putative dihydrofolate reductase (bsu40760, yyap) from bacillus subtilis at 2.30 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.019859, 0.979718
Spacegroup name	P 43
Unit cell lengths	64.915, 64.915, 143.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.160 - 2.300
R-factor	0.20966
Rwork	0.207
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.524
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]	64.957	64.960	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.114	0.020	0.747
Total number of observations		1018	7192
Number of reflections	26393	308	1925
<I/σ(I)>	6.2	29.7	1
Completeness [%]	100.0
Redundancy	3.7	3.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.9	277	0.2M (NH4)2HPO4, 20.0% PEG-3350, No Buffer pH 7.9, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K