5D59
In meso X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03321 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.570, 110.250, 110.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.130 - 2.400 |
R-factor | 0.2086 |
Rwork | 0.207 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2c |
RMSD bond length | 0.006 |
RMSD bond angle | 1.028 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 24537 | |
<I/σ(I)> | 12 | 2.26 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.41 | 4.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 250-325 mM NH4H2PO4, 100 mM HEPES, pH 7.0, 21-22 %(v/v) PEG 400 and 10 mM Ala-Phe |