4OLR

[Leu-5]-Enkephalin mutant - YVVFV

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	2013-08-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	9.750, 21.380, 19.050
Unit cell angles	90.00, 93.17, 90.00

Refinement procedure

Resolution	19.020 - 1.100
R-factor	0.1532
Rwork	0.150
R-free	0.18710
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.376
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.020		1.130
High resolution limit [Å]	1.100	4.920	1.100
Rmerge	0.212	0.095	0.769
Number of reflections	3191	38	203
<I/σ(I)>	5.91	14.08	1.5
Completeness [%]	98.4	97.4	90.2
Redundancy	6.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	reservoir contained 15% MPD, 0.1M Sodium Cacodylate, 0.1M Magnesium Acetate, pH 6.5, vapor diffusion, hanging drop, temperature 298K