3GQC

Structure of human Rev1-DNA-dNTP ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	56.436, 172.780, 129.192
Unit cell angles	90.00, 90.65, 90.00

Refinement procedure

Resolution	43.070 - 2.500
R-factor	0.2189
Rwork	0.214
R-free	0.26709
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aq4
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.070	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	72489
<I/σ(I)>	27.4	2.9375
Completeness [%]	94.7	91.6
Redundancy	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	20% PEG MME 5000, 400mM Sodium malonate pH 4.6, 100mM Ammonium sulfate, 200mM Sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Water
2	1	2	Water