6NQC
Crystal structure of a peptidase from an acI-B1 Actinobacterium
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 | 2018-12-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.693, 88.916, 131.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.409 - 1.940 |
R-factor | 0.1668 |
Rwork | 0.164 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l4e |
RMSD bond length | 0.011 |
RMSD bond angle | 1.023 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.500 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmeas | 0.088 | 0.805 |
Rpim | 0.034 | 0.303 |
Number of reflections | 18380 | 953 |
<I/σ(I)> | 26.4 | 3.14 |
Completeness [%] | 91.6 | 98.8 |
Redundancy | 6.8 | 6.8 |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Crystals of enzyme grew after mixing 2 microliters 16 mg/ml protein in buffer (30 mM maleic acid [pH 6.7], 200 mM Na2SO4) with an equal volume of condition 7 (100 mM HEPES-NaOH [pH 7.5], 2% v/v PEG 400, 2 M (NH4)2SO4) from the TOP96 screen (Anatrace) over 500 microliters of the screen solution. 0.5 microliters IZIT crystal dye (Hampton) was added to the crystal-containing droplet after 4 weeks |