4P3Q

Room-temperature WT DHFR, time-averaged ensemble

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2011-08-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.953724
Spacegroup name	P 21 21 21
Unit cell lengths	34.320, 45.510, 98.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.344 - 1.351
R-factor	0.1201
Rwork	0.118
R-free	0.15340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.066
RMSD bond angle	4.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.ensemble_refinement: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	31891
<I/σ(I)>	21.7
Completeness [%]	91.6	48.7
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100MM HEPES PH 7.5, 21% PEG8000, 200MM MGCL2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K