4FWX
Aquoferric F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2010-08-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.219, 47.718, 77.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.570 - 1.900 |
R-factor | 0.21332 |
Rwork | 0.211 |
R-free | 0.26642 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fwz |
RMSD bond length | 0.018 |
RMSD bond angle | 3.194 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.118 | 0.575 |
Number of reflections | 12106 | |
<I/σ(I)> | 35.9 | 4.7 |
Completeness [%] | 99.4 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | F33Y-CuBMb (1.0 mM) in 100 mM tris pH 8, (pH adjusted H2SO4), was mixed 1:3 with well buffer (0.1 M sodium cacodylate pH 6.5, 0.2 M sodium acetate trihydrate with 30% w/v polyethylene glycol 8000) using the hanging drop method with 300 uL well buffer in the well of the crystallization tray, VAPOR DIFFUSION, HANGING DROP, temperature 277K |