Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-08-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.65 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.590, 138.090, 275.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.300 |
R-factor | 0.245 * |
Rwork | 0.245 |
R-free | 0.29000 |
Structure solution method | MAD |
Starting model (for MR) | 1FUM |
RMSD bond length | 0.014 * |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.093 * | 0.277 * |
Total number of observations | 219456 * | |
Number of reflections | 49332 | |
<I/σ(I)> | 15.5 | 6.5 |
Completeness [%] | 87.2 | 90 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 298 | PEG 10000, MgAcetate, NaCitrate, DTT, EDTA, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | drop | polyoxyethylene getergent C12E9 | 0.7 (%(w/v)) | |
3 | 1 | reservoir | PEG5000 MME | 12.5 (%) | |
4 | 1 | reservoir | magnesium acetate | 85 (mM) | |
5 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.8 |
6 | 1 | reservoir | EDTA | 0.100 (mM) | |
7 | 1 | reservoir | dithiothreitol | 0.001 (%) |