5YG9
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-03-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 98.840, 98.840, 256.281 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.600 - 2.800 |
R-factor | 0.1591 |
Rwork | 0.156 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yfj |
RMSD bond length | 0.013 |
RMSD bond angle | 1.747 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.28) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.600 | 2.940 | |
High resolution limit [Å] | 2.800 | 2.800 | |
Rmerge | 0.147 | 0.530 | 0.038 |
Rmeas | 0.154 | 0.553 | 0.040 |
Rpim | 0.045 | 0.157 | 0.013 |
Number of reflections | 35799 | 4709 | 1073 |
<I/σ(I)> | 15.6 | 5.1 | |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 11.7 | 12.3 | 10.6 |
CC(1/2) | 0.997 | 0.943 | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.7 M NaCl, 3% PEG 6000, 30% MPD |