4BJP

Crystal structure of E. coli penicillin binding protein 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-02
Detector	ADSC QUANTUM 315r
Spacegroup name	P 61 2 2
Unit cell lengths	119.025, 119.025, 139.251
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.510 - 2.500
R-factor	0.20107
Rwork	0.199
R-free	0.24493
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3equ
RMSD bond length	0.012
RMSD bond angle	1.415
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.700	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.170	0.570
Number of reflections	20753
<I/σ(I)>	13.5	4.9
Completeness [%]	99.8	99.8
Redundancy	14	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1