1ES5

S216A MUTANT OF STREPTOMYCES K15 DD-TRANSPEPTIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.930, 53.756, 105.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.400
R-factor	0.212
Rwork	0.212
R-free	0.24500
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA)
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.530	1.440
High resolution limit [Å]	1.380	1.380
Rmerge	0.051	0.284
Number of reflections	50481
<I/σ(I)>	8.6
Completeness [%]	93.7	95.2
Redundancy	3.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	This particular structure is not described in this paper. *
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	This particular structure is not described in this paper. *