7FC7
Acyl-Coenzyme A Binding Protein 96 (LMJ_17_0780) of Leishmania Major in complex with Coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-12-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.979490 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 44.376, 44.376, 77.350 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.420 - 2.200 |
R-factor | 0.271 |
Rwork | 0.269 |
R-free | 0.32500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7des |
RMSD bond length | 0.002 |
RMSD bond angle | 0.476 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.670 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.032 | 0.910 |
Number of reflections | 6348 | 456 |
<I/σ(I)> | 30.4 | 2.1 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 8.4 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289.15 | 50mM Sodium Acetate buffer pH 4.5, 200mM Sodium chloride, 10mM Magnesium chloride, 30% PEG 3350 |