Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 103 |
Detector technology | IMAGE PLATE |
Collection date | 1998-08-30 |
Detector | MARRESEARCH |
Wavelength(s) | 1.04 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 56.520, 86.810, 160.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.990 - 2.300 |
R-factor | 0.207 * |
Rwork | 0.207 |
R-free | 0.24200 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 27.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.038 | 0.100 * |
Total number of observations | 105428 * | |
Number of reflections | 17479 * | 1564 * |
<I/σ(I)> | 49.7 | 16.4 |
Completeness [%] | 97.3 * | 91.1 * |
Redundancy | 6.1 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8.5 * | 16 * | PEG 4000, lithium sulfate, HEPES, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
2 | 1 | reservoir | PEG4000 | 27.5 (%) | |
3 | 1 | reservoir | sodium acetate | 0.2 (M) | |
4 | 1 | drop | protein | 12-24 (mg/ml) |