2ERA
RECOMBINANT ERABUTOXIN A, S8G MUTANT
Experimental procedure
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 278 |
Detector technology | IMAGE PLATE |
Collection date | 1993-09 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.650, 46.590, 21.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.810 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | STRUCTURE OF RECOMBINANT ERABUTOXIN A PROVIDED BY DR.B.ARNOUX |
RMSD bond length | 0.008 |
RMSD bond angle | 26.900 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((AGROVATA) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 * | 1.860 |
High resolution limit [Å] | 1.810 | 1.814 |
Rmerge | 0.047 * | 0.116 * |
Total number of observations | 41373 * | |
Number of reflections | 4924 * | |
<I/σ(I)> | 13 | 6.3 |
Completeness [%] | 99.0 * | 97 * |
Redundancy | 8.4 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.5 | 18 * | drop solution was mixed with an equal volume of reservoir solution * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | toxin | 7 (mM) | |
2 | 1 | reservoir | 3 (M) | ||
3 | 1 | reservoir | 250 (mM) |