5XXR

Crystal structure of selenomethionine labelled RIBT from Bacillus subtilis

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	2015-11-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97883
Spacegroup name	P 21 21 21
Unit cell lengths	54.572, 57.550, 73.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.544 - 2.647
R-factor	0.2264
Rwork	0.224
R-free	0.27630
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.410
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.680
High resolution limit [Å]	2.630	2.630
Rmerge	0.191	0.906
Number of reflections	6986	315
<I/σ(I)>	23.1	1.6
Completeness [%]	98.9	92.6
Redundancy	25.4	16.1
CC(1/2)	0.930	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% 2.7M sodium malonate, 80% 2.1M Malic acid