3VSX
Human renin in complex with compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-12 |
| Detector | RIGAKU RAXIS VII |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 138.188, 138.188, 138.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.800 |
| Rwork | 0.237 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rne |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.125 | 0.078 | 0.241 |
| Number of reflections | 21771 | ||
| <I/σ(I)> | 25.1 | ||
| Completeness [%] | 98.9 | 98.1 | 100 |
| Redundancy | 6.2 | 6.1 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 295 | 5-12% PEG3 350, 0.6M NaCl, 0.1M citrate (pH 3.0-4.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
