4GIE
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 155.540, 50.340, 37.600 |
Unit cell angles | 90.00, 94.23, 90.00 |
Refinement procedure
Resolution | 29.870 - 1.250 |
R-factor | 0.1202 |
Rwork | 0.119 |
R-free | 0.13620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fzi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.448 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.280 | |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.062 | 0.023 | 0.369 |
Number of reflections | 75887 | 932 | 4767 |
<I/σ(I)> | 23.41 | 64.1 | 5.29 |
Completeness [%] | 94.7 | 97.9 | 81 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | TrcrA.00019.a.B1 at 20 mg/mL with 2 mM NADP against Index G6: 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, 25% PEG3350, cryoprotectant: 15% ethylene glycol, crystal tracking ID 235869g6, unique puck ID pzu9-6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |