3ZTC
pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-16 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 94.091, 94.091, 366.724 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.840 - 2.650 |
R-factor | 0.24313 |
Rwork | 0.239 |
R-free | 0.31705 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zrf |
RMSD bond length | 0.015 |
RMSD bond angle | 1.716 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.810 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.050 | 0.580 |
Number of reflections | 49241 | |
<I/σ(I)> | 19.84 | 3.8 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 7.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M NA CITRATE PH 5.7, 0.2 M MG ACETATE, 15% PEG8000, 50MM DTT. |