4POO

The crystal structure of Bacillus subtilis YtqB in complex with SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 270
Spacegroup name	P 21 21 21
Unit cell lengths	47.066, 77.661, 100.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.22207
Rwork	0.220
R-free	0.25995
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pon
RMSD bond length	0.017
RMSD bond angle	1.588
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	19185
Completeness [%]	99.6	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	30-36% PEG200/5% PEG2000/0.1M sodium cacodylate (pH 6.5) or 30-36% PEG200/5% PEG2000/0.1 M Hepes (pH 7.0) , VAPOR DIFFUSION, SITTING DROP, temperature 291 K