4IT8
A sperm whale myoglobin mutant L29H Mb with two distal histidines
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.899, 48.433, 78.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.607 - 1.500 |
R-factor | 0.1729 |
Rwork | 0.172 |
R-free | 0.18660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Myoglobin L29H/F43H mutant |
RMSD bond length | 0.010 |
RMSD bond angle | 1.367 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.607 | 1.690 | 1.530 |
High resolution limit [Å] | 1.500 | 1.650 | 1.500 |
Rmerge | 0.006 | ||
Number of reflections | 25185 | ||
<I/σ(I)> | 19.7 | ||
Completeness [%] | 14.5 | 99.9 | 99.7 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate, 30% w/v Polyethylene glycol 8,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |