7UIE

Crystal structure of HcE-JLE-G6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	88.737, 174.626, 214.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	135.410 - 3.230
R-factor	0.2318
Rwork	0.230
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ffz
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	174.630	3.320
High resolution limit [Å]	3.230	3.230
Rpim	0.106	0.874
Number of reflections	54051	5309
<I/σ(I)>	8.6	1.06
Completeness [%]	99.6
Redundancy	4.1
CC(1/2)	0.987	0.328

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M HEPES, pH 7.0, 0.2 M NaCl and 18% PEG 3350