1H1X
Sperm whale Myoglobin mutant T67R S92D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-15 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.524, 90.524, 45.129 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.000 - 1.400 |
| R-factor | 0.121 |
| Rwork | 0.119 |
| R-free | 0.15000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fcs |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 1.570 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.000 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.057 | 0.264 |
| Total number of observations | 561360 * | |
| Number of reflections | 41560 | |
| <I/σ(I)> | 28.97 | 3.84 |
| Completeness [%] | 99.1 | |
| Redundancy | 13.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | 3M (NH4)2SO4, 5MM K3FE(CN)6, 20MM TRIS/HCL, PH9.0, DROPLET 5:3, RESERVOIR:PROTEIN (43MG/ML), pH 9.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | phosphate | 0.05 (M) | pH6.0 |
| 2 | 1 | drop | protein | 43 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 3.0 (M) | |
| 4 | 1 | reservoir | 0.005 (M) | ||
| 5 | 1 | reservoir | 0.005 (M) | ||
| 6 | 1 | reservoir | Tris-HCl | 0.20 (M) | pH9.0 |
