7LVC

E. coli DHFR by Native Mn,P,S-SAD at Room Temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	295
Detector technology	PIXEL
Collection date	2019-07-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.892
Spacegroup name	P 21 21 21
Unit cell lengths	34.297, 45.552, 99.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.520 - 1.700
R-factor	0.1407
Rwork	0.139
R-free	0.17190
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.933
Data reduction software	DIALS (3.1.4)
Data scaling software	Aimless (0.7.4)
Phasing software	AutoSol (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.520	1.770
High resolution limit [Å]	1.700	1.700
Rmerge	0.101	0.223
Rmeas	0.103	0.251
Rpim	0.017	0.114
Number of reflections	27966	720
<I/σ(I)>	30.18	4.42
Completeness [%]	85.5	22.11
Redundancy	29.4	4.5
CC(1/2)	0.998	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20 mM imadazole (pH 5.4-5.8), 16-21% PEG 400, 125 mM MnCl2