4TWV
Horse heart myoglobin mutant (K45E/K63E/K96E) with Zn-deuteroporphyrin IX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.530, 34.970, 123.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.530 - 1.060 |
| R-factor | 0.1488 |
| Rwork | 0.148 |
| R-free | 0.16540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rj6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.179 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.530 | 4.740 | 1.090 |
| High resolution limit [Å] | 1.060 | 3.350 | 1.060 |
| Rmerge | 0.064 | 0.029 | 0.536 |
| Rmeas | 0.070 | 0.031 | 0.614 |
| Rpim | 0.027 | 0.012 | |
| Total number of observations | 367507 | 4384 | |
| Number of reflections | 55463 | 1268 | 2986 |
| <I/σ(I)> | 16.98 | 46.28 | 2.38 |
| Completeness [%] | 96.9 | 99.7 | 72.2 |
| Redundancy | 6.6 | 5.8 | |
| CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M Tris/HCl, 2.8 M ammonium sulfate |
