4TYV
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.939, 100.055, 99.556 |
Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
Resolution | 24.270 - 1.750 |
R-factor | 0.112 |
Rwork | 0.110 |
R-free | 0.14300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pew |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.ENSEMBLE_REFINEMENT: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.082 | 0.546 |
Number of reflections | 123726 | |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Protein Solution (20 mg/ml protein, 0.05 M NaCl, and 0.010 M MOPS pH 7) mixed in a 1:1 ratio with the Well Solution (20% PEG 3350, 125mM NaCH02, and 100mM BTP pH 6.5). Cryoprotected with 20% PEG 3350, 125mM NaCH02, 75mM Glucose, 100mM BTP pH 6.5 and 15% ethylene glycol |