6PEA
High Resolution Apo Carbonic Anhydrase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.289, 41.305, 72.039 |
Unit cell angles | 90.00, 104.18, 90.00 |
Refinement procedure
Resolution | 39.870 - 1.360 |
R-factor | 0.1492 |
Rwork | 0.148 |
R-free | 0.16430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.295 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.870 | 39.870 | 1.380 |
High resolution limit [Å] | 1.360 | 7.420 | 1.360 |
Rmerge | 0.022 | 0.012 | 0.183 |
Rmeas | 0.026 | 0.015 | 0.233 |
Rpim | 0.014 | 0.008 | 0.141 |
Total number of observations | 163103 | 1176 | 3784 |
Number of reflections | 49512 | 352 | 1578 |
<I/σ(I)> | 20 | 41.7 | 3.7 |
Completeness [%] | 94.5 | 99 | 61 |
Redundancy | 3.3 | 3.3 | 2.4 |
CC(1/2) | 1.000 | 1.000 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6M NaCitrate, 50mM Tris |