6Q24

Structure of pro-Esp mutant- S235A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-25
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	69.100, 69.100, 127.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.760 - 1.850
R-factor	0.1951
Rwork	0.193
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pym
RMSD bond length	0.007
RMSD bond angle	0.822
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.733	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.062	0.618
Rmeas	0.088
Number of reflections	25463	2522
<I/σ(I)>	8.76	1.22
Completeness [%]	94.0
Redundancy	1.9
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Magnesium chloride, 0.1 M Sodium acetate pH 4.6, 30% PEG 4000