2GOY

Crystal structure of assimilatory adenosine 5'-phosphosulfate reductase with bound APS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	2005-03-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.98397
Spacegroup name	P 1
Unit cell lengths	60.027, 102.788, 139.374
Unit cell angles	90.10, 102.57, 89.95

Refinement procedure

Resolution	38.680 - 2.700
R-factor	0.232
Rwork	0.230
R-free	0.26500
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.674	38.670	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.105	0.020	0.337
Total number of observations		1868	12387
Number of reflections	85404	953	6341
<I/σ(I)>	5.9	36.4	1.9
Completeness [%]	95.6
Redundancy	2	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	1.5M ammonium sulfate, 0.1M sodium cacodylate, 2.5mM APS, pH 6.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	6.5	298	1.5M ammonium sulfate, 0.1M sodium cacodylate, 2.5mM APS, pH 6.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	6.5	298	1.5M ammonium sulfate, 0.1M sodium cacodylate, 2.5mM APS, pH 6.5, VAPOR DIFFUSION, temperature 298K
1	VAPOR DIFFUSION	6.5	298	1.5M ammonium sulfate, 0.1M sodium cacodylate, 2.5mM APS, pH 6.5, VAPOR DIFFUSION, temperature 298K