1JAF
CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION
Experimental procedure
Source details | BRUKER NONIUS |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 70.180, 70.180, 126.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.400 - 2.500 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CYTOCHROME C' FROM ALCALIGENES SP (PDB ENTRY 1CGO) |
RMSD bond length | 0.009 |
RMSD bond angle | 19.334 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.400 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.112 * | 0.428 |
Total number of observations | 96234 * | |
Number of reflections | 13010 | |
<I/σ(I)> | 13.7 | 2.4 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 6 | 277 * | 55% SATURATED (NH4)2SO4, 50 MM (NH4)2HPO4, 1 M NACL, pH 6. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 55 (%sat) | |
2 | 1 | 1 | ammonium phosphate | 50 (mM) | |
3 | 1 | 1 | 1 (M) | ||
4 | 1 | 2 | protein | 10-20 (mg/ml) | |
5 | 1 | 2 | ammonium phosphate | 50 (mM) |