8CWP

X-ray crystal structure of NTHi Protein D bound to a putative glycerol moiety

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979270
Spacegroup name	P 43 21 2
Unit cell lengths	73.090, 73.090, 162.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.800
R-factor	0.1561
Rwork	0.154
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ydy
RMSD bond length	0.011
RMSD bond angle	1.059
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	2.600
Number of reflections	41845	2934
<I/σ(I)>	17.5	0.98
Completeness [%]	99.7	96
Redundancy	14.5	13.6
CC(1/2)	0.999	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	20% w/v PEG3000, 0.1 M Sodium Citrate pH 5.5