6ED7

Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	122.430, 111.570, 136.120
Unit cell angles	90.00, 92.08, 90.00

Refinement procedure

Resolution	42.790 - 2.430
R-factor	0.18
Rwork	0.177
R-free	0.23700
RMSD bond length	0.009
RMSD bond angle	1.254
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.510
High resolution limit [Å]	2.425	2.430
Rmerge	0.067	0.354
Number of reflections	104748
<I/σ(I)>	6.3
Completeness [%]	99.6	99.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.05 M Ammonium Citrate, Dibasic 5% w/v Peg3350 0.45mM Spermidine