1BDW
GRAMICIDIN D FROM BACILLUS BREVIS (ACTIVE FORM)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01 |
Detector | RIGAKU RAXIS II |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 20.584, 27.905, 52.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.700 |
R-factor | 0.168 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1av2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.024 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.050 | 0.125 |
Total number of observations | 11715 * | |
Number of reflections | 3416 * | |
<I/σ(I)> | 28 | 3.5 |
Completeness [%] | 95.0 | 58.8 |
Redundancy | 3.4 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 2 | CRYSTALLIZED BY BATCH METHODS FROM A 30 MG/ML SOLUTION OF GRAMICIDIN D IN GLACIAL ACETIC ACID, PH 2.0, BATCH METHOD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | methanolic solution | 30 (mg/ml) | |
2 | 1 | 1 | 250 (mM) |