4A1U
Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-11 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.706, 54.706, 119.168 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.861 - 1.540 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.19840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fdl |
RMSD bond length | 0.010 |
RMSD bond angle | 1.327 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHASER (FOR MR) |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7.2_861)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.090 | 0.760 |
Number of reflections | 30977 | |
<I/σ(I)> | 17.94 | 1.92 |
Completeness [%] | 98.0 | 88.4 |
Redundancy | 5.18 | 3.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1.5 M AMMONIUM SULPHATE, 0.1 M TRIS PH 8.5, 12% (V/V) GLYCEROL |