1NZU

Wild-type penicillin-binding protein 5 from E. coli modified by beta-mercaptoethanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-30
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	50.220, 50.220, 138.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 * - 2.000
R-factor	0.2241
Rwork	0.219
R-free	0.26600 *
Starting model (for MR)	1hd8
RMSD bond length	0.009
RMSD bond angle	1.330 *
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.500	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	0.308
Total number of observations	74362 *
Number of reflections	26382
<I/σ(I)>	6.1	2
Completeness [%]	99.9	99.8
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	24% PEG 4000, 100 mM magnesium acetate, 100 mM sodium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.4 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	drop		0.15 (M)
4	1	drop	2-ME	10 (mM)
5	1	reservoir	PEG8000	24 (%)
6	1	reservoir	sodium citrate	50 (mM)	pH5.5
7	1	reservoir	magnesium acetate	100 (mM)
8	1	reservoir	glycerol	2-25 (%)