3DRD

Crystal Structure of 7,8 Diaminopelargonic Acid Synthase Apoenzyme in Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2007-02-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	58.173, 102.844, 74.555
Unit cell angles	90.00, 105.15, 90.00

Refinement procedure

Resolution	35.000 - 2.170
R-factor	0.20796
Rwork	0.205
R-free	0.26498
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bv0
RMSD bond length	0.009
RMSD bond angle	1.281
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.530	2.290
High resolution limit [Å]	2.170	2.170
Rmerge	0.063	0.323
Number of reflections	41693
<I/σ(I)>	26.1	3.8
Completeness [%]	93.0	63.5
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	20% PEG3350, 0.2M SODIUM THIOCYANATE, 5% XYLITOL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K