7XRT
Bacteroides thetaiotaomicron ferulic acid esterase (BT_4077)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 113.385, 160.164, 192.056 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.351 - 2.007 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vol |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.076 | 0.038 | 0.675 |
Rmeas | 0.079 | 0.040 | 0.704 |
Rpim | 0.022 | 0.012 | 0.198 |
Total number of observations | 2788140 | ||
Number of reflections | 229659 | 23860 | 22521 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 98.9 | 99.3 | 98.1 |
Redundancy | 12.1 | 11.1 | 11.4 |
CC(1/2) | 0.999 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 0.04 M Sodium cacodylate trihydrate (pH 6.0), 60% (v/v) MPD, 0.04 M potassium chloride, 0.012 M Spermine tetrahydrochloride, 0.02 M Trimethylamine hydrochloride |