1YAK

Complex of Bacillus subtilis TenA with 4-amino-2-methyl-5-hydroxymethylpyrimidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Detector technology	CCD
Collection date	2004-08-08
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	82.958, 82.928, 296.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.500
R-factor	0.217
Rwork	0.217
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yaf
RMSD bond length	0.008
RMSD bond angle	1.200
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.660
High resolution limit [Å]	2.500	2.500
Number of reflections	33417
<I/σ(I)>	21.3	3.2
Completeness [%]	93.3	68.6
Redundancy	3.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	297	0.7 M 1,6-hexanediol, 10 mM MgCl2, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 297K