1MDV
KEY ROLE OF PHENYLALANINE 20 IN CYTOCHROME C3: STRUCTURE, STABILITY AND FUNCTION STUDIES
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 4 |
| Unit cell lengths | 97.220, 97.220, 36.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1CTH |
| RMSD bond length | 0.014 |
| RMSD bond angle | 25.283 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 * | 0.505 * |
| Total number of observations | 48916 * | |
| Number of reflections | 14381 | 946 * |
| <I/σ(I)> | 16.4 | 2.4 |
| Completeness [%] | 92.3 | 93.2 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.6 | 20 * | pH 7.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 40 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 3.0-3.4 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) |
