Experimental procedure
Source type | ROTATING ANODE |
Source details | MACSCIENCE M18X |
Temperature [K] | 287 |
Detector technology | AREA DETECTOR |
Collection date | 1994-07 |
Detector | SIEMENS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 127.500, 97.700, 164.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.000 - 2.800 |
R-factor | 0.17 |
Rwork | 0.170 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1BOV |
RMSD bond length | 0.015 |
RMSD bond angle | 25.000 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.000 | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.176 | 0.476 |
Total number of observations | 113473 * | |
Number of reflections | 41759 | |
<I/σ(I)> | 3.37 | 0.581 |
Completeness [%] | 81.6 | 57.3 |
Redundancy | 2.7 | 1.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6 | pH 6.0 |