7ZUH

PENICILLIN-BINDING PROTEIN 1B (PBP-1B) 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	2021-06-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.965459
Spacegroup name	C 2 2 21
Unit cell lengths	95.681, 147.016, 98.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.051 - 1.467
Rwork	0.189
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2BG1 WITHOUT RESIDUES 654 TO 660
RMSD bond length	0.009
RMSD bond angle	1.234
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]	43.060	1.550
High resolution limit [Å]	1.467	1.467
Number of reflections	117495	17059
<I/σ(I)>	11.77	0.87
Completeness [%]	99.5	99.3
Redundancy	5.2	4.9
CC(1/2)	0.998	0.298

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