1A8Z
STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.430, 60.680, 38.010 |
| Unit cell angles | 90.00, 107.82, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.21900 |
| Structure solution method | ANOMALOUS SCATTERING & DIRECT METHODS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 27.550 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 | 0.106 |
| Total number of observations | 80752 * | |
| Number of reflections | 7898 | |
| <I/σ(I)> | 7.9 | 6.1 |
| Completeness [%] | 95.5 | 91.9 |
| Redundancy | 10.2 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 * | 4 * | SIMILAR TO THOSE DESCRIBED IN DJEBLI ET AL., J. MOL. BIOL. 229, 581 (1992)., pH 3.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5 (mg/ml) | |
| 2 | 1 | drop | sodium citrate | 50 (mM) | |
| 3 | 1 | drop | lithium chloride | 100 (mM) | |
| 4 | 1 | drop | PEG8000 | 12.5 (%(w/v)) | |
| 5 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 6 | 1 | reservoir | lithium chloride | 200 (mM) | |
| 7 | 1 | reservoir | PEG8000 | 25 (%) |
