5TGD

Crystal structure of FolM Alternative dihydrofolate reductase 1 from Brucella suis in complex with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	76.350, 76.520, 98.260
Unit cell angles	90.00, 109.47, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.1634
Rwork	0.163
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bt9
RMSD bond length	0.006
RMSD bond angle	0.828
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.044	0.019	0.439
Number of reflections	116233
<I/σ(I)>	19.84	56.41	2.87
Completeness [%]	99.0	96	98.4
Redundancy	4.22		4.25
CC(1/2)	0.999	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	MCSG1 A1(272563a1): 20% w/v PEG8000, 100mM HEPES:NaOH pH7.5; 20eg; protein 19mg/mL; icw9-7