6GPZ

Cell division regulator GpsB in complex with peptide fragment of L. monocytogenes Penicillin Binding Protein PBPA1

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	2017-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	26.577, 31.415, 81.032
Unit cell angles	90.00, 92.41, 90.00

Refinement procedure

Resolution	29.288 - 1.600
R-factor	0.1747
Rwork	0.173
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gp7
RMSD bond length	0.016
RMSD bond angle	1.372
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.420	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.044	0.386
Number of reflections	17944	902
<I/σ(I)>	8.4	1.8
Completeness [%]	99.8	99.9
Redundancy	3.5	3.3
CC(1/2)	0.997	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1 M imidazole pH 8, 0.2M zinc acetate, 20% PEG 3000