5M3D

Structural tuning of CD81LEL (space group P31)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 31
Unit cell lengths	97.948, 97.948, 34.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.974 - 2.380
R-factor	0.1763
Rwork	0.174
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g8q
RMSD bond length	0.009
RMSD bond angle	1.009
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.970	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.056	0.712
Rpim	0.034
Number of reflections	14545
<I/σ(I)>	12.3	1.7
Completeness [%]	98.1	98.9
Redundancy	3.5	3.5
CC(1/2)		0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	Protein: 10 mg/ml Buffer: 40% EtOH, 0.097 M Citrate pH 2.2, 0.113 M Na2HPO4 pH 9.3, (pH ~6) 2.5% PEG 1000