7ZG8

Crystal structure of A. baumannii penicillin-binding protein 2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	121.249, 151.030, 177.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.334 - 2.650
Rwork	0.211
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lp4
RMSD bond length	0.006
RMSD bond angle	1.525
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.203	1.108
Rmeas	0.213	1.167
Rpim	0.065	0.360
Number of reflections	46823	4576
<I/σ(I)>	9	2
Completeness [%]	98.7	99.4
Redundancy	9.7	9.7
CC(1/2)	0.994	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	0.1M Na2HPO4 adjusted to pH 4.2 with citric acid, 16% (v/v) ethanol, and 5% (w/v) PEG 1000