7PHO
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979260 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.548, 90.542, 95.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.650 - 1.270 |
R-factor | 0.1459 |
Rwork | 0.145 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7p5l |
RMSD bond length | 0.008 |
RMSD bond angle | 0.931 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.654 | 1.290 |
High resolution limit [Å] | 1.268 | 1.268 |
Rmerge | 0.036 | 1.115 |
Rmeas | 0.040 | 1.248 |
Rpim | 0.017 | 0.552 |
Number of reflections | 161347 | 8041 |
<I/σ(I)> | 18.2 | 1.1 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.4 | 5 |
CC(1/2) | 1.000 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 293 | 0.15 M DL-Malic Acid pH 7.1; 20% PEG 3350 |