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 |