7W9A

Dynamics of lipid displacement inside the hydrophobic cavity of a non-specific lipid transfer protein from Solanum melongena

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-05-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	I 41
Unit cell lengths	39.245, 39.245, 94.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.260 - 2.120
R-factor	0.1986
Rwork	0.196
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iwm
RMSD bond length	0.003
RMSD bond angle	0.599
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.110	2.110
Rmerge	0.102	0.682
Rpim	0.030	0.245
Number of reflections	4080	405
<I/σ(I)>	28.925	2.14
Completeness [%]	99.9	99.8
Redundancy	11.2	8.4
CC(1/2)	0.997	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295.15	0.1M HEPES at pH 7.5 and 1.5M Ammonium sulfate