2Y1J

CRYSTAL STRUCTURE OF A R-DIASTEREOMER ANALOGUE OF THE SPORE PHOTOPRODUCT IN COMPLEX WITH FRAGMENT DNA POLYMERASE I FROM BACILLUS STEAROTHERMOPHILUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	88.525, 93.382, 105.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.840 - 2.150
R-factor	0.20061
Rwork	0.199
R-free	0.24103
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u45
RMSD bond length	0.016
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.090	0.450
Number of reflections	47859
<I/σ(I)>	14.9	3.7
Completeness [%]	99.3	96
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1