7RZO

Crystal structure of a dihydrofolate reductase (folA) from Stenotrophomonas maltophilia

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	2020-03-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 41 2 2
Unit cell lengths	104.170, 104.170, 87.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.660 - 1.800
R-factor	0.1597
Rwork	0.157
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hi6
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.660	37.660	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.054	0.032	0.560
Rmeas	0.057	0.035	0.590
Total number of observations	220707
Number of reflections	22548	299	1631
<I/σ(I)>	24.88	54.79	4.22
Completeness [%]	99.6	98	99.2
Redundancy	9.788	8.06	9.9
CC(1/2)	0.999	0.998	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	MCSG-1 C7 (313874c7): 100 mM Tris:HCl, pH8.5, 200 mM CaCl2, 25% (w/v) PEG 4000: StmaA.01062.a.B1.PW38724 @ 26.35 mg/mL: 15% EG: puck/pin id: dqg0-6