3VSW
Human renin in complex with compound 8
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 | 2006-02-14 |
Detector | RIGAKU RAXIS VII |
Spacegroup name | P 21 3 |
Unit cell lengths | 140.762, 140.762, 140.762 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.910 - 3.000 |
Rwork | 0.235 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rne |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
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 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.053 | 0.029 | 0.174 |
Number of reflections | 18881 | ||
<I/σ(I)> | 28.2 | ||
Completeness [%] | 99.6 | 97.7 | 99.8 |
Redundancy | 5.6 | 5.4 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3 | 295 | 5-12% PEG 3350, 0.6M NaCl, 0.1M citrate (pH3.0-4.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K |