3Q8M

Crystal Structure of Human Flap Endonuclease FEN1 (D181A) in complex with substrate 5'-flap DNA 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 1 21 1
Unit cell lengths	59.520, 94.940, 104.520
Unit cell angles	90.00, 105.06, 90.00

Refinement procedure

Resolution	100.930 - 2.600
R-factor	0.2195
Rwork	0.217
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q8k
RMSD bond length	0.014
RMSD bond angle	1.167
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.015	101.015	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge	0.049	0.033	0.344
Total number of observations		4151	16654
Number of reflections	34587
<I/σ(I)>	12	12	2.2
Completeness [%]	99.7	100	99
Redundancy	3.5	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	288	20% mPEG 2k, 20% KCl, 10 mM CaCl2, 50 mM Bis-Tris pH 7.5, 5% ethylene glycol, vapor diffusion, temperature 288K