7WI1
The mutant variant of PNGM-1, H93 was substituuted for alanine to study metal coordination
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 121.755, 82.792, 164.047 |
| Unit cell angles | 90.00, 111.10, 90.00 |
Refinement procedure
| Resolution | 41.510 - 1.610 |
| R-factor | 0.1977 |
| Rwork | 0.196 |
| R-free | 0.22270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j4n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.807 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
| Rmerge | 0.086 | 0.062 | 0.310 |
| Rmeas | 0.093 | 0.067 | 0.339 |
| Rpim | 0.036 | 0.025 | 0.135 |
| Total number of observations | 2483252 | ||
| Number of reflections | 388155 | 20006 | 19048 |
| <I/σ(I)> | 8.6 | ||
| Completeness [%] | 99.1 | 99.7 | 97.5 |
| Redundancy | 6.4 | 7.3 | 6 |
| CC(1/2) | 0.997 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.1 | 287 | 50 mM HEPES pH 7.1, 10% PEG 4000, 150 mM Magnesium acetate, 200 mM Ammonium acetate |
