5NVY
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamidopropanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl) pyrrolidine-2-carboxamide (ligand 11)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 93.085, 93.085, 362.983 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 2.900 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.26860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vcb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.250 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.760 | 48.760 | 3.030 |
High resolution limit [Å] | 2.900 | 10.050 | 2.900 |
Rmerge | 0.225 | 0.124 | 1.101 |
Rmeas | 0.240 | 0.134 | 1.168 |
Rpim | 0.082 | 0.050 | 0.386 |
Number of reflections | 36661 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 8.5 | 7.4 | 8.9 |
CC(1/2) | 0.990 | 0.990 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | PEG 3350, MgOAc, Sodium cacodylate, DTT |