4GJ8
Crystal structure of renin in complex with PKF909-724 (compound 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2003-08-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.835, 110.449, 127.981 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.638 - 2.500 |
R-factor | 0.1737 |
Rwork | 0.169 |
R-free | 0.21680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0z |
RMSD bond length | 0.010 |
RMSD bond angle | 1.220 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.638 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.092 | 0.370 |
Number of reflections | 31713 | |
<I/σ(I)> | 9.8 | 1.3 |
Completeness [%] | 94.8 | 96.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | reservoir: 18-21% PEG4000, 0.4-0.6 M sodium chloride, 50 mM sodium citrate, pH 4-5, protein solution: 10-15 mg/mL protein, 25 mM sodium chloride, 12.5 mM Tris, pH 8, drop: 1 uL protein solution + 1 uL reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 293K |