5JAM

Yersinia pestis FabV variant T276V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	102.872, 102.872, 84.794
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.545 - 2.000
R-factor	0.2023
Rwork	0.201
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bkr
RMSD bond length	0.002
RMSD bond angle	0.590
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.550	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.180	1.885
Number of reflections	35422
<I/σ(I)>	9.3	1.3
Completeness [%]	100.0	100
Redundancy	10	10.2
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	150 mM (NH4)2SO4 25-38% PEG 4000 100 mM MES PH 5.6-5.9