4PYV
Crystal structure of renin in complex with compound4
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 | 2004-09-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.979334 |
Spacegroup name | P 21 3 |
Unit cell lengths | 141.898, 141.898, 141.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.780 - 2.650 |
R-factor | 0.2049 |
Rwork | 0.201 |
R-free | 0.24130 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.780 | 2.750 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 27773 | |
Completeness [%] | 99.5 | 99.45 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | REMARK: HANGING DROP, VAPOR DIFFUSION, 20 DEG C, 1 UL PROTEIN + 1 UL RESERVOIR; PROTEIN SOLUTION: 31.7 MG/ML RENIN, 12.5 MM TRIS PH 8, 25 MM NACL; RESERVOIR SOLUTION: 18% PEG4000, 50 MM NACITRATE PH 4.5, 400 MM NACL; SOAKING: DROP PLUS 2.5 UL RESERVOIR SOLUTION PLUS 10 MM INHIBITOR AND 10% DMSO FOR 30 MIN; CRYO: SOAKING SOLUTION PLUS 15% GLYCEROL., VAPOR DIFFUSION, HANGING DROP, temperature 298K |