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 |