2XCL

Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Collection date	1998-07-11
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	56.890, 84.650, 85.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.980 - 2.100
R-factor	0.201
Rwork	0.201
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.980	2.170
High resolution limit [Å]	2.090	2.090
Rmerge	0.080	0.280
Number of reflections	22361
<I/σ(I)>	29.9	4.7
Completeness [%]	89.5	50.5
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		30% PEG 4000, 0.1 M TRIS-HCL PH 8.5, 4.2 MM MGCL2, 1.8 MM AMP-PNP