8UW0

Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 1-BM-C
Synchrotron site	APS
Beamline	1-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	33.980, 44.848, 98.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.120 - 0.930
R-factor	0.1008
Rwork	0.100
R-free	0.11520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.120	0.960
High resolution limit [Å]	0.930	0.930
Rmeas	0.050	0.208
Number of reflections	99062	9233
<I/σ(I)>	29.6	8.1
Completeness [%]	97.2	91.7
Redundancy	5.3	2.6
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	17% PEG 400, 20 mM imidazole pH 7.0, 125 mM MnCl2