9R6W

CHAP domain of Pneumococcal Endopeptidase PcsB

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	84.280, 117.380, 47.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.222 - 1.700
Rwork	0.172
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.745
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	52851	2725
<I/σ(I)>	19.5
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.830	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100mM Sodium citrate(pH 5.6), 500mM NaCl, 4 % v/v Polyethyleneimine