2VWU
ephB4 kinase domain inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-24 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.490, 53.479, 61.392 |
Unit cell angles | 90.00, 111.15, 90.00 |
Refinement procedure
Resolution | 56.800 - 2.000 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jpa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.295 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.800 | 2.110 |
High resolution limit [Å] | 1.450 | 2.000 |
Rmerge | 0.090 | 0.380 |
Number of reflections | 19173 | |
<I/σ(I)> | 5.44 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 7.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PROTEIN: 12MG/ML IN 50MM MOPS PH 6.5, 50MM NACL, 1MM DTT RESERVOIR: 25% PEG 5000 MME, 0.1M TRIS PH 7.5, 0.15M MGCL2, 15% GLYCEROL TEMP: 4 DEGREES C SITTING DROP: 2 UL PROTEIN, 0.6 UL RESERVOIR |