1IKI

COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-26
Detector	BRANDEIS - B4
Spacegroup name	P 21 21 21
Unit cell lengths	50.859, 66.799, 100.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.250
R-factor	0.1094
Rwork	0.111
R-free	0.15500 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3pte
RMSD bond length	0.014 *
RMSD bond angle	2.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.069 *	0.178 *
Total number of observations	973583 *
Number of reflections	95204 *
<I/σ(I)>	17.2	2
Completeness [%]	97.0 *	78 *
Redundancy	5.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	PEG 8000, SODIUM PHOSPHATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 20K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium phosphate	50 (mM)	pH6.8
2	1	reservoir	PEG8000	30 (%(w/v))
3	1	reservoir	glycerol	5 (%(v/v))