6FCH
Crystal Structure of Human APRT wild type in complex with PRPP and Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.966 |
Spacegroup name | P 1 |
Unit cell lengths | 47.260, 47.350, 47.440 |
Unit cell angles | 77.02, 69.53, 61.78 |
Refinement procedure
Resolution | 44.330 - 1.450 |
R-factor | 0.1423 |
Rwork | 0.141 |
R-free | 0.17550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5DCI |
RMSD bond length | 0.007 |
RMSD bond angle | 1.232 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.330 | 44.330 | 1.470 |
High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
Rmerge | 0.039 | 0.033 | 0.262 |
Rpim | 0.039 | 0.033 | 0.262 |
Total number of observations | 88620 | 630 | 4426 |
Number of reflections | 54531 | ||
<I/σ(I)> | 9.7 | 34.8 | 2.1 |
Completeness [%] | 90.8 | 95 | 86.9 |
Redundancy | 1.6 | 1.8 | 1.7 |
CC(1/2) | 0.998 | 0.995 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | NaOAc, PEG4000, Glycerol, Tris |