4P3R

Cryogenic 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]	100
Detector technology	CCD
Collection date	2011-10-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115869
Spacegroup name	P 21 21 21
Unit cell lengths	34.040, 44.820, 98.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.774 - 1.150
R-factor	0.1107
Rwork	0.109
R-free	0.13620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	4.340
Data reduction software	XDS
Data scaling software	SCALA
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	1.190
High resolution limit [Å]	1.150	1.150
Number of reflections	51212
<I/σ(I)>	22.6
Completeness [%]	94.4	64.2
Redundancy	4.9

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