6GP7

Cell division regulator, B. subtilis GpsB, in complex with peptide fragment of Penicillin Binding Protein PBP1A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	1996-02-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	31.472, 53.753, 85.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.569 - 1.950
R-factor	0.188286986987
Rwork	0.187
R-free	0.21353
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ug3
RMSD bond length	0.006
RMSD bond angle	0.673
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	2.000
High resolution limit [Å]	1.950	1.950
Rpim	0.059	0.473
Number of reflections	11206	768
<I/σ(I)>	8.8	2.1
Completeness [%]	100.0	100
Redundancy	7	7.1
CC(1/2)	0.994	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	0.1 M HEPES/MOPS pH 7.5, 12.5% MPD, 12.5 % PEG 1000 12.5% PEG 3350, 0.03M MgCl2, 0.03M CaCl2