1HD8

Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 2.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	NONIUS FR391
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-12-15
Detector	MACSCIENCE
Spacegroup name	P 32
Unit cell lengths	50.830, 50.830, 140.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.196 *
Rwork	0.199
R-free	0.27000 *
Structure solution method	MIR
RMSD bond length	0.011 *
RMSD bond angle	24.730 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.400	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.069 *
Total number of observations	43406 *
Number of reflections	17239
<I/σ(I)>	13.2	3.3
Completeness [%]	94.8	85.2
Redundancy	2.52	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	18 *	20% POLYETHYLENE GLYCOL 4000, 50 MM TRIS PH 7.0, 0.2 % SODIUM AZIDE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	20 (%)
2	1	reservoir	Tris-HCl	50 (mM)
3	1	reservoir		0.2 (%)