4X45
Crystal Structure of F173G Mutant of Human APRT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.748, 140.617, 49.216 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.453 - 1.750 |
| R-factor | 0.1809 |
| Rwork | 0.180 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.887 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.360 | 142.857 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.080 | 0.047 | 0.483 |
| Rmeas | 0.093 | ||
| Rpim | 0.047 | 0.028 | 0.296 |
| Total number of observations | 124507 | 4373 | 16023 |
| Number of reflections | 34302 | ||
| <I/σ(I)> | 11.2 | 24.2 | 2.5 |
| Completeness [%] | 98.0 | 96.2 | 96.9 |
| Redundancy | 3.6 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 22,5% PEG 4000, 85mM Tris pH8.5, 170mM Sodium Acetate, 15% Glycerol |
