5UAT
Structure of human PYCR-1 complexed with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2015-10-18 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 162.063, 87.762, 115.897 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.235 - 1.920 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2izz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.099 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 64.240 | 64.240 | 1.950 |
| High resolution limit [Å] | 1.920 | 10.520 | 1.920 |
| Rmerge | 0.094 | 0.028 | 0.965 |
| Rmeas | 0.101 | ||
| Rpim | 0.038 | ||
| Total number of observations | 879308 | ||
| Number of reflections | 126545 | ||
| <I/σ(I)> | 14.9 | ||
| Completeness [%] | 100.0 | 99.5 | 99.9 |
| Redundancy | 6.9 | 6.4 | 5.7 |
| CC(1/2) | 0.999 | 0.999 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 300 mM Na2SO4, 16-18% (w/v) polyethylene glycol (PEG) 3350, and 0.1 M HEPES at pH 7.5. The crystal was soaked in the cryobuffer containing 100 mM NADPH |
