1MWU

Structure of methicillin acyl-Penicillin binding protein 2a from methicillin resistant Staphylococcus aureus strain 27r at 2.60 A resolution.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-04-13
Detector	MARRESEARCH
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	80.672, 103.210, 186.494
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.600
R-factor	0.242
Rwork	0.242
R-free	0.30200 *
RMSD bond length	0.005
RMSD bond angle	22.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.054 *	0.387 *
Number of reflections	47895
<I/σ(I)>	12.7	2
Completeness [%]	98.1	99.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	18 *	CdCl2, PEG550MME, HEPES, NaCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG550 MME	20 (%(v/v))
3	1	reservoir		0.88 (M)
4	1	reservoir	HEPES	100 (mM)	pH7.
5	1	reservoir		16 (mM)