2IN4
Crystal Structure of Myoglobin with Charge Neutralized Heme, ZnDMb-dme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.604, 30.577, 56.485 |
| Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
| Resolution | 55.990 - 2.150 |
| R-factor | 0.17807 |
| Rwork | 0.175 |
| R-free | 0.23191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1YMB from PDB data base |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.991 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.990 | 2.203 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 8041 | |
| Completeness [%] | 99.5 | 96.8 |
| Redundancy | 6.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 12-17 mg/ml protein solution, 3.3 M ammonium sulfate, 0.1 M sodium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
