4P6B

Crystal structure of Est-Y29,a novel penicillin-binding protein/beta-lactamase homolog from a metagenomic library

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000, 0.97888, 0.97917, 0.96395
Spacegroup name	I 4
Unit cell lengths	121.541, 121.541, 155.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.17131
Rwork	0.170
R-free	0.18793
RMSD bond length	0.011
RMSD bond angle	1.253
Data scaling software	HKL-2000
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.700
Number of reflections	122542
<I/σ(I)>	45
Completeness [%]	99.5
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		287	2.0 M sodium formate, 0.1 M sodium acetate trihydrate buffer (pH 4.6)