6ZTC
CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-04-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.071, 68.163, 68.517 |
Unit cell angles | 90.00, 96.70, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.840 |
R-factor | 0.1669 |
Rwork | 0.164 |
R-free | 0.22670 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | Coordinates determined in-house |
RMSD bond length | 0.006 |
RMSD bond angle | 1.402 |
Data reduction software | TRUNCATE (6.1) |
Data scaling software | SCALA (3.3.15) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.054 | 21.054 | 1.940 |
High resolution limit [Å] | 1.840 | 5.820 | 1.840 |
Rmerge | 0.032 | 0.485 | |
Rmeas | 0.071 | 0.038 | 0.570 |
Rpim | 0.037 | 0.020 | 0.297 |
Total number of observations | 4494 | 18705 | |
Number of reflections | 37894 | 1252 | 5323 |
<I/σ(I)> | 13.3 | 33 | 2.5 |
Completeness [%] | 97.4 | 97.1 | 94.5 |
Redundancy | 3.6 | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 293 | PEG6000, dioxane, TRIS-HCl, glycerol. |