1KK6
Crystal Structure of Vat(D) (Form I)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1999-06-01 |
Detector | XENTRONICS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.600, 102.600, 107.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.000 - 2.500 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BASED ON PDB ENTRY 1XAT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | X-GEN |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.082 | 0.269 |
Total number of observations | 106003 * | |
Number of reflections | 26649 | |
Completeness [%] | 99.0 | 96.4 |
Redundancy | 4.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 400, ethanol, sodium citrate, tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG400 | 25-35 (%) | |
2 | 1 | reservoir | ethanol | 5-8 (%) | |
3 | 1 | reservoir | Tris-HCl | 0.2 (M) | pH8.0 |