1IH6
Multi-Conformation Crystal Structure of GGBr5CGCC
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2000-04-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.92042, 0.92065, 0.90836 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.170, 41.170, 175.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.450 |
R-factor | 0.138 * |
Rwork | 0.138 |
R-free | 0.18700 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 2.290 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.110 * | 0.668 * |
Total number of observations | 628716 * | |
Number of reflections | 58509 | |
<I/σ(I)> | 22 | |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 10.7 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | magnesium chloride, sodium cacodylate, spermine tetrahydrochloride, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | magnesium chloride | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | spermine tetrahydrochloride |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 0.7 (mM) | |
2 | 1 | drop | 25 (mM) | ||
3 | 1 | drop | 0.8 (mM) | ||
4 | 1 | drop | spermine tetrahydrochloride | 0.1-1.2 (mM) | |
5 | 1 | reservoir | MPD | 15 (%(v/v)) |