5Z6M

High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 800 MPa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	297
Detector technology	CCD
Collection date	2016-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.75
Spacegroup name	P 21 21 21
Unit cell lengths	33.915, 41.849, 97.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 2.202
R-factor	0.2356
Rwork	0.232
R-free	0.30590
RMSD bond length	0.009
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.760	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.109	0.661
Number of reflections	7493
<I/σ(I)>	15.9
Completeness [%]	99.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG 400, CaCl, imidazole buffer