5L6Z
Crystal structure of D62A mutant of Thermotoga maritima TmPEP1050 aminopeptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9797 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.180, 113.960, 267.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 1.501 |
R-factor | 0.1849 |
Rwork | 0.183 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6y |
RMSD bond length | 0.006 |
RMSD bond angle | 0.821 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (v1.10.1-2155-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.040 | 1.530 | |
High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
Rmerge | 0.091 | 0.037 | 0.493 |
Number of reflections | 103936 | ||
<I/σ(I)> | 14.48 | 25.52 | 3.51 |
Completeness [%] | 98.3 | 97 | 77.3 |
Redundancy | 5.8 | ||
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | 0.1M sodium acetate, 5% PEG3350 (v/v) pH5.2 |