7CLZ
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.664, 100.208, 117.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.696 - 2.100 |
R-factor | 0.195874909575 |
Rwork | 0.193 |
R-free | 0.24676 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r3v |
RMSD bond length | 0.009 |
RMSD bond angle | 1.172 |
Data reduction software | XDS (1.9_1692+SVN) |
Data scaling software | Aimless (1.9_1692+SVN) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.030 | 0.188 |
Number of reflections | 67180 | 13302 |
<I/σ(I)> | 8.58 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 0.998 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION, RECRYSTALLIZATION | 5 | 277 | 0.1M MMT pH 5.0, 25% PEG 1500 |