2ZRE

MsRecA Q196N ATPgS form IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 61
Unit cell lengths	102.030, 102.030, 75.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.600 - 2.900
R-factor	0.221
Rwork	0.221
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubc
RMSD bond length	0.008
RMSD bond angle	1.800
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.128	0.499
Number of reflections	9902
<I/σ(I)>	10.3	2.1
Completeness [%]	99.5	98.7
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	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, temperature 296K