Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-06-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 105.911, 56.162, 86.055 |
Unit cell angles | 90.00, 107.25, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.600 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.947 |
Data reduction software | DENZO |
Data scaling software | SDMS |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.056 | 0.224 |
Total number of observations | 172244 * | |
Number of reflections | 27893 | |
<I/σ(I)> | 17.7 | |
Completeness [%] | 88.9 | 82.4 |
Redundancy | 6.2 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 8% PEG 3350, 70mM lithium sulfate, 100mM MES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 3350 | ||
2 | 1 | 1 | Li2SO4 | ||
3 | 1 | 1 | MES |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | reservoir | PEG3350 | 8 (%) | |
3 | 1 | reservoir | lithium sulfate | 70 (mM) | |
4 | 1 | reservoir | MES | 100 (mM) |