2ZRL

MsRecA Q196A dATP FORM II'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 61
Unit cell lengths	103.370, 103.370, 75.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.840 - 3.700
R-factor	0.208
Rwork	0.208
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubc
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.900
High resolution limit [Å]	3.700	3.700
Rmerge	0.166	0.481
Number of reflections	4582
<I/σ(I)>	4.4	1.5
Completeness [%]	92.0	97.1
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	296	80mM citrate/phosphate buffer(pH 6.9), 80mM NaCl, 40mM ammonium acetate, 20mM sodium citrate, 6% poly-ethylene glycol 3350, 30% poly-ethylene glycol 3350, 200mM ammonium acetate in sodium citrate buffer(PH 5.8), VAPOR DIFFUSION, HANGING DROP, temperature 296K