1FI8
RAT GRANZYME B [N66Q] COMPLEXED TO ECOTIN [81-84 IEPD]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 85 |
Detector technology | IMAGE PLATE |
Collection date | 1999-08-03 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.640, 154.600, 57.240 |
Unit cell angles | 90.00, 119.76, 90.00 |
Refinement procedure
Resolution | 35.700 - 2.200 |
R-factor | 0.222 |
Rwork | 0.218 |
R-free | 0.25200 |
RMSD bond length | 0.007 |
RMSD bond angle | 24.900 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | EPMR |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.800 | 2.280 |
High resolution limit [Å] | 2.200 | 2.210 |
Rmerge | 0.093 | 0.580 |
Total number of observations | 121975 * | |
Number of reflections | 48837 * | |
<I/σ(I)> | 6.8 | |
Completeness [%] | 90.3 | 90 * |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 18 * | sodium acetate, PEGmme 2000, ammonium acetate,, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 18 * | sodium acetate, PEGmme 2000, ammonium acetate,, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 50-1500 (mM) | ||
2 | 1 | drop | protein | 5 (mg/ml) | |
3 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.8 |
4 | 1 | reservoir | ammonium sulfate | 100 (mM) | |
5 | 1 | reservoir | PEG2000MME | 25 (%(w/v)) |