7QH0
Apo structure of the Leishmania mexicana triose-phosphate isomerase (LmTIM), N11A-E65Q variant, open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.979500 |
Spacegroup name | P 1 |
Unit cell lengths | 38.815, 73.898, 81.080 |
Unit cell angles | 83.12, 89.33, 77.11 |
Refinement procedure
Resolution | 50.530 - 2.150 |
R-factor | 0.2367 |
Rwork | 0.235 |
R-free | 0.27750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n55 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.516 |
Data reduction software | DIALS (1.10.4-gc14d9720b-release) |
Data scaling software | STARANISO (2.3.52) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.530 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.200 | 0.632 |
Rmeas | 0.268 | 0.783 |
Rpim | 0.154 | 0.455 |
Number of reflections | 46268 | 3712 |
<I/σ(I)> | 2.6 | 1.2 |
Completeness [%] | 97.6 | 96.2 |
Redundancy | 2.6 | 2.6 |
CC(1/2) | 0.954 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 293.15 | 50 mM Tris-HCl pH 8.0, 22.5% PEG 6000, 0.275 M CaCl2 and 3% v/v tert-butanol |