4XNJ
X-ray structure of PepTst2
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 | 2014-02-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.033 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 102.880, 110.160, 110.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.336 - 2.300 |
R-factor | 0.2051 |
Rwork | 0.203 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.182 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 28208 | |
<I/σ(I)> | 9.4 | 1.3 |
Completeness [%] | 99.2 | 97.2 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 250-350 mM NH4H2PO4, 100 mM HEPES, pH7.0, 21-22% pEG400 |