3Q8L

Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with substrate 5'-flap DNA, SM3+, and K+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	90
Detector technology	CCD
Collection date	2010-01-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.116
Spacegroup name	P 31 2 1
Unit cell lengths	105.140, 105.140, 104.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.481 - 2.319
R-factor	0.1632
Rwork	0.161
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q8k
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.120	20.495	2.450
High resolution limit [Å]	2.319	7.340	2.319
Rmerge		0.037	0.578
Total number of observations		4203	19528
Number of reflections	29199
<I/σ(I)>	8.3	15.3	1.3
Completeness [%]	99.8	95	100
Redundancy	4.5	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	288	17% mPEG 2k, 20% KCl, 0.5 mM Sm2(SO4)3, 50 mM Bis-Tris pH 7.0 and 5% Ethylene Glycol, vapor diffusion, temperature 288K