6FCI
Crystal Structure of Human APRT wild type in complex with Adenine, PRPP and Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 |
Unit cell lengths | 49.710, 49.790, 71.490 |
Unit cell angles | 90.05, 93.48, 101.91 |
Refinement procedure
Resolution | 71.350 - 1.940 |
R-factor | 0.1984 |
Rwork | 0.196 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5HND |
RMSD bond length | 0.003 |
RMSD bond angle | 0.873 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.351 | 41.351 | 2.040 |
High resolution limit [Å] | 1.940 | 6.130 | 1.940 |
Rmerge | 0.098 | 0.168 | |
Rmeas | 0.132 | 0.116 | 0.206 |
Rpim | 0.075 | 0.061 | 0.117 |
Total number of observations | 124409 | 4642 | 16595 |
Number of reflections | 45067 | ||
<I/σ(I)> | 6.7 | 9.5 | 4.3 |
Completeness [%] | 90.9 | 94.6 | 85.1 |
Redundancy | 2.8 | 3.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | NaOAc, PEG4000, Glycerol, Tris |