1ES3

C98A mutant of streptomyces K15 DD-transpeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996-06-24
Detector	SIEMENS X1000
Spacegroup name	P 21 21 21
Unit cell lengths	46.305, 54.090, 108.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.174
Rwork	0.174
R-free	0.24500
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	2.203
High resolution limit [Å]	2.127	2.127
Rmerge	0.044	0.183
Number of reflections	14472	730 *
<I/σ(I)>	4.21
Completeness [%]	90.6	46.8
Redundancy	3.47	3.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	20 *	Mes 0.1M, PEG 6K 25%, NaCl 0.5M, pH 6.0, 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	MES-HCl	0.1 (M)