4TWU
Horse heart myoglobin mutant (D44K/D60K/E85K) 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 1 21 1 |
Unit cell lengths | 42.660, 30.350, 56.940 |
Unit cell angles | 90.00, 98.42, 90.00 |
Refinement procedure
Resolution | 21.900 - 1.080 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.18540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ns2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.241 |
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] | 21.900 | 1.110 | |
High resolution limit [Å] | 1.080 | 4.830 | 1.080 |
Rmerge | 0.090 | 0.072 | 0.572 |
Rmeas | 0.101 | 0.083 | 0.668 |
Total number of observations | 297036 | ||
Number of reflections | 59805 | 683 | 3370 |
<I/σ(I)> | 9.98 | 17.91 | 2.22 |
Completeness [%] | 96.1 | 89.8 | 74.3 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M Tris/HCl, 3.2 M ammonium sulfate |