1ES2

S96A mutant of streptomyces K15 DD-transpeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.281, 53.147, 104.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.550
R-factor	0.225
Rwork	0.225
R-free	0.27000
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.560	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.105
Number of reflections	38470	2624 *
<I/σ(I)>	12.11
Completeness [%]	87.9	85
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	20 *	Tris 0.1M, PEG 6K 22%, NaCl 0.4M, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.2	20 *	Tris 0.1M, PEG 6K 22%, NaCl 0.4M, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.3-20 (mg/ml)
2	1	reservoir	PEG6000
3	1	reservoir	Tris-HCl	0.1 (M)
4	1	reservoir		0.5 (M)