5W3Q

L28F E.coli DHFR in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97648
Spacegroup name	P 21 21 21
Unit cell lengths	34.337, 45.166, 97.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.174 - 1.401
R-factor	0.1403
Rwork	0.139
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rx1
RMSD bond length	0.008
RMSD bond angle	0.987
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.174
High resolution limit [Å]	1.400
Rpim	0.027
Number of reflections	26915
<I/σ(I)>	24.3
Completeness [%]	87.4
Redundancy	6.1
CC(1/2)	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM imidazole pH 8.0, 25% w/v PEG6000, 450 mM CaCl2