6V77
Crystal structure of a putative HpcE protein from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-25 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 68.250, 68.250, 218.980 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.930 - 1.750 |
R-factor | 0.1611 |
Rwork | 0.160 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1I7O & 3LRK |
RMSD bond length | 0.008 |
RMSD bond angle | 0.907 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.930 | 45.930 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.053 | 0.037 | 0.492 |
Rmeas | 0.057 | 0.041 | 0.530 |
Total number of observations | 442650 | ||
Number of reflections | 60836 | 792 | 4428 |
<I/σ(I)> | 20.89 | 43.84 | 3.96 |
Completeness [%] | 100.0 | 97.5 | 100 |
Redundancy | 7.276 | 5.973 | 7.36 |
CC(1/2) | 0.999 | 0.998 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 22 mg/mL MysmA.00471.a.AE1.PW38681 against Microlytic/Anatrace MCSG-1 screen condition H7 (2000 mM ammonium sulfate, 100 mM Bis-Tris/HCl, pH 5.5), cryoprotectant: 25% ethylene glycol in 2 steps, tray 311974h7, puck uac1-9 |