7ZUK

PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.965459
Spacegroup name	C 2 2 21
Unit cell lengths	96.608, 148.936, 99.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.156 - 1.631
Rwork	0.168
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BG1 WITHOUT RESIDUES 654 TO 660
RMSD bond length	0.007
RMSD bond angle	1.209
Data reduction software	XDS (20210323)
Data scaling software	XSCALE (20210323)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.160	1.730
High resolution limit [Å]	1.631	1.631
Number of reflections	86692	13556
<I/σ(I)>	10.16	0.74
Completeness [%]	96.8	93.6
Redundancy	4.4
CC(1/2)	0.998	0.275

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	50MM HEPES PH 7.2, 3M NACL, 0.6-0.9M AMMONIUM SULFATE