6TII

Crystal structure of penicillin-binding protein 2 from Yersinia pestis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	48.661, 84.773, 88.359
Unit cell angles	113.47, 94.97, 103.72

Refinement procedure

Resolution	50.005 - 2.260
Rwork	0.191
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp4
RMSD bond length	0.008
RMSD bond angle	1.554
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.360	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.133	0.827
Rmeas	0.163	0.756
Rpim	0.095	0.632
Number of reflections	56420	4462
<I/σ(I)>	6.7	1.9
Completeness [%]	90.2	87.8
Redundancy	5.5
CC(1/2)	0.781	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	1 uL of 1 mg/ml YpPBP2 (in 20 mM Tris-HCl pH 7.5, 150 mM NaCl, 2 mM mecillinam) and 2 uL reservoir solution (containing 0.1 M HEPES-NaOH pH 7.5, 0.5 M K+/Na+ tartrate and 10 mM NaBr)