1G96
HUMAN CYSTATIN C; DIMERIC FORM WITH 3D DOMAIN SWAPPING
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-09-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8423 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 140.530, 140.530, 140.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.216 |
Rwork | 0.220 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | N-terminally truncated chicken cystatin (1cew.pdb) converted to a polyalanine chain and limited to those fragments that had been modeled in electron density (residues 86-90 not included) |
RMSD bond length | 0.015 |
RMSD bond angle | 25.800 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.070 | 0.413 |
Total number of observations | 167936 * | |
Number of reflections | 8429 | |
<I/σ(I)> | 27.8 | 2.5 |
Completeness [%] | 99.2 | 93.5 |
Redundancy | 19.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 277 | Lyophilized protein was dissolved in 100 mM sodium acetate buffer pH 4.8 containing 20 mM CaCl2. Droplets were equilibrated against 1 ml of reservoir with analogous buffer/CaCl2 solution. After 2 and 4 days, the reservoir solution was supplemented with 100 microliters of MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | sodium acetate | 100 (mM) | |
3 | 1 | drop | 20 (mM) | ||
4 | 1 | reservoir | MPD |