7VMD
Crystal structure of a hydrolases Ple628 from marine microbial consortium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-07-04 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.733, 64.540, 81.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.970 - 1.690 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.18590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sbn |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.750 |
High resolution limit [Å] | 1.690 | 3.640 | 1.690 |
Rmerge | 0.124 | 0.055 | 0.620 |
Rmeas | 0.132 | 0.058 | 0.665 |
Rpim | 0.044 | 0.019 | 0.234 |
Total number of observations | 230187 | ||
Number of reflections | 26625 | 2849 | 2576 |
<I/σ(I)> | 3.6 | ||
Completeness [%] | 99.8 | 99.7 | 99 |
Redundancy | 8.6 | 8.6 | 7.4 |
CC(1/2) | 0.998 | 0.810 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 20% PEG 8000, 0.2M calcium acelate, 0.1M sodium cacodylate |