6D45
L89S Mutant of FeBMb Sperm Whale Myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.83, 1.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.359, 48.075, 78.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.160 - 1.779 |
| R-factor | 0.1682 |
| Rwork | 0.164 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m38 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.10.1_2155) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 4.830 | 1.780 |
| Rmerge | 0.053 | 0.047 | 0.241 |
| Rmeas | 0.059 | 0.053 | 0.271 |
| Rpim | 0.026 | 0.024 | 0.121 |
| Total number of observations | 69715 | ||
| Number of reflections | 14785 | 818 | 613 |
| <I/σ(I)> | 18.5 | ||
| Completeness [%] | 99.1 | 97.6 | 86 |
| Redundancy | 4.7 | 4.2 | 4.6 |
| CC(1/2) | 0.996 | 0.950 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.57 | 277.15 | Crystals of L89S-FeBMb were set up and grown at 4 C on hanging drops containing 0.1M MES pH 6.57, 0.2M NaOAC.3H2O, 30% PEG 6K as well buffer. Drops contained an equal volume of 1 mM L89S-FeBMb in 20 mM TRIS.H2SO4 pH 8 and the well buffer. Prior to mounting, the L89S-FeBMb crystals were soaked in buffer containing 0.1M MES pH 6.0, 0.2M NaOAC.3H2O, 30% PEG 6K for 30 min and then frozen in a cryoprotectant solution of 50 mM MES pH 6.0, and 30% PEG 400 |
