5FDA

The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97912
Spacegroup name	C 2 2 21
Unit cell lengths	60.265, 79.201, 64.321
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.960 - 1.549
R-factor	0.1587
Rwork	0.157
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q1h
RMSD bond length	0.009
RMSD bond angle	0.973
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.549	4.210	1.550
Rmerge	0.046	0.028	0.688
Rmeas	0.050	0.030	0.796
Rpim	0.018	0.011	0.391
Total number of observations	166938
Number of reflections	22728
<I/σ(I)>	16
Completeness [%]	99.9	99.7	98
Redundancy	7.3	7.3	3.9
CC(1/2)		0.997	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	297	0.1 M Sodium Acetate, 3.0 M Sodium chloride