7DVB
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979150 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.026, 67.002, 192.803 |
Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
Resolution | 19.716 - 2.050 |
Rwork | 0.229 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rcn |
RMSD bond length | 0.003 |
RMSD bond angle | 0.944 |
Data reduction software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.716 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.107 | 1.024 |
Number of reflections | 130228 | 6345 |
<I/σ(I)> | 9.1 | 1.6 |
Completeness [%] | 99.2 | |
Redundancy | 6.6 | |
CC(1/2) | 0.998 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 10 mg/mL protein in the buffer of 25 mM PH 8.0 and 300 mM NaCl was mixed with 0.1 M MES, pH 5.5, 23 % (w/v) PEG 10000 at 1:1 to grow apo crystal. Then the apo was soaked directly with 4MU-6S-GlcNAc powder for 11 min. |