1IKG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1999-11-13
Detector	SIEMENS HI-STAR
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	50.873, 66.828, 100.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 * - 1.900
R-factor	0.15
Rwork	0.150
R-free	0.18400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3pte
RMSD bond length	0.012
RMSD bond angle	23.700 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.044 *	0.086 *
Total number of observations	130497 *
Number of reflections	26003
<I/σ(I)>	22.5
Completeness [%]	93.0 *	70
Redundancy	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8		PEG 8000, SODIUM PHOSPHATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 100K

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))