1AL4
GRAMICIDIN D FROM BACILLUS BREVIS (N-PROPANOL SOLVATE)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1996-09 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.434, 32.461, 24.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.130 |
R-factor | 0.085 |
R-free | 0.12100 |
Structure solution method | MOLECULAR PLACEMENT; DIFFERENCE MAPS |
Starting model (for MR) | 1alz |
RMSD bond length | 0.016 |
RMSD bond angle | 0.033 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXL-97 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.160 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.041 | 0.065 |
Total number of observations | 67561 * | |
Number of reflections | 9572 * | |
<I/σ(I)> | 47.6 | 13.7 |
Completeness [%] | 95.5 | 82.4 |
Redundancy | 7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7 | CRYSTALLIZED BY BATCH METHODS FROM A SATURATED SOLUTION OF GRAMICIDIN D IN N-PROPANOL, PH 7.0, BATCH METHOD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 30 (mg/ml) | |
2 | 1 | 1 | n-propanol | ||
3 | 1 | 1 | PEG4000 | 2 (%(w/v)) |