4K2M

Crystal structure of ntda from bacillus subtilis in complex with the plp external aldimine adduct with kanosamine-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-06
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	49.700, 106.440, 98.240
Unit cell angles	90.00, 96.42, 90.00

Refinement procedure

Resolution	46.730 - 1.710
R-factor	0.154
Rwork	0.152
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k2b
RMSD bond length	0.007
RMSD bond angle	1.130
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	1.750
High resolution limit [Å]	1.710	1.710
Rmerge	0.066	0.755
Number of reflections	108740
<I/σ(I)>	14.28	2.14
Completeness [%]	99.3	98.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	295	0.1M tri-sodium citrate pH 5.6, 0.2M ammonium acetate, 10-30% PEG3350, microbatch, temperature 295K