5L6U

S. ENTERICA HISA MUTANT - D10G, DUP13-15, Q24L, G102A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97628
Spacegroup name	P 61 2 2
Unit cell lengths	85.940, 85.940, 120.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.426 - 1.600
R-factor	0.1567
Rwork	0.155
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1t
RMSD bond length	0.006
RMSD bond angle	1.035
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.426	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.084	1.620
Number of reflections	35410
<I/σ(I)>	37	2.77
Completeness [%]	99.8	99.5
Redundancy	38.4	39
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	281	0.2M ammonium sulfate, 0.1M sodium acetate, pH4.8, 25% w/v PEG4000