4H2V

Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with glycylated carrier protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.953740
Spacegroup name	P 21 21 21
Unit cell lengths	90.853, 101.020, 104.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 2.000
R-factor	0.1809
Rwork	0.179
R-free	0.20970
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (dev_1116)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.380	46.380	2.120
High resolution limit [Å]	2.000	5.950	2.000
Rmerge	0.060	0.025	0.474
Number of reflections	65485	2676	10230
<I/σ(I)>	22.8	60.68	4.62
Completeness [%]	99.5	99.4	97.5
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25.5% PEG 8000, 0.17M ammonium sulfate, 0.085 M sodium cacodylate pH 6.5, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K