4NIP
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-13 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.895432 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 50.128, 4.843, 18.142 |
Unit cell angles | 90.00, 99.50, 90.00 |
Refinement procedure
Resolution | 24.850 - 1.900 |
R-factor | 0.2339 |
Rwork | 0.232 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.316 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.000 | 90.000 | 2.050 |
High resolution limit [Å] | 1.900 | 3.250 | 1.900 |
Rmerge | 0.144 | 0.111 | 0.206 |
Number of reflections | 415 | ||
<I/σ(I)> | 8.5 | ||
Completeness [%] | 95.2 | 100 | 89.2 |
Redundancy | 2.4 | 2.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 1 M sodium acetate pH 4.5, 1.75 M ammonium sulfate, vapor diffusion, hanging drop, temperature 298K |