4LEA

The Crystal Structure of Pyocin L1 bound to D-mannose at 2.55 Angstroms

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	2012-12-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.97620
Spacegroup name	C 2 2 21
Unit cell lengths	53.420, 162.060, 152.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.280 - 2.550
R-factor	0.19724
Rwork	0.194
R-free	0.24776
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4le7
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.530	2.670
High resolution limit [Å]	2.550	2.550
Rmerge	0.059
Number of reflections	22096
<I/σ(I)>	13.3
Completeness [%]	99.9	99.5
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 550 MME, 20% PEG 20K, 0.03 M CaCl2, 0.03 M MgCl2 0.1 M MOPS/HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K