5XXS

Crystal structure of native 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	2015-11-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	54.580, 57.444, 74.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.950 - 2.090
R-factor	0.20662
Rwork	0.200
R-free	0.26691
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xxr
RMSD bond length	0.008
RMSD bond angle	1.338
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.077	0.380
Number of reflections	13197	395
<I/σ(I)>	18.7	2.03
Completeness [%]	92.6	56.7
Redundancy	4.5	2.3
CC(1/2)	0.940	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	80% 2.7M sodium malonate, 20% 2.1M Malic acid