4TZ1
Ensemble refinement of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose
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 | 49.775, 100.195, 53.862 |
Unit cell angles | 90.00, 103.49, 90.00 |
Refinement procedure
Resolution | 24.226 - 1.500 |
R-factor | 0.1009 |
Rwork | 0.100 |
R-free | 0.12360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pew |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.ensemble_refinement: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
Rmerge | 0.065 | 0.030 | 0.481 |
Total number of observations | 395273 | ||
Number of reflections | 100816 | ||
<I/σ(I)> | 9.5 | ||
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 3.9 | 3.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 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, 75mM NaCH02, and 100mM BTP pH 6.0). Cryoprotected with 20% PEG 3350, 75mM NaCH02, 25mM laminaritriose, 100mM BTP pH 6.0 and 15% ethylene glycol |