4O0I

Crystal structure of fragment DNA polymerase I from Bacillus stearothermophilus with 2'-MeSe-arabino-guanosine derivatized DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	86.770, 93.967, 106.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.039 - 2.203
R-factor	0.1789
Rwork	0.176
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dwi
RMSD bond length	0.011
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.328	30.000	2.280
High resolution limit [Å]	2.203	4.730	2.203
Rmerge	0.081	0.038	0.370
Number of reflections	42234
<I/σ(I)>	10.7
Completeness [%]	95.0	99.3	77.9
Redundancy	5.6	6.7	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K