6U4T
Carbonic anhydrase 9 in complex with SB4197
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 | 2019-08-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9775 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.153, 41.470, 72.050 |
Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
Resolution | 30.428 - 1.356 |
R-factor | 0.1549 |
Rwork | 0.154 |
R-free | 0.17290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.119 |
Data scaling software | Aimless (0.5.32) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.140 | 32.140 | 1.380 |
High resolution limit [Å] | 1.356 | 7.430 | 1.360 |
Rmerge | 0.040 | 0.021 | 0.556 |
Rmeas | 0.043 | 0.023 | 0.630 |
Rpim | 0.017 | 0.009 | 0.287 |
Total number of observations | 2197 | 10901 | |
Number of reflections | 52421 | 352 | 2403 |
<I/σ(I)> | 25.9 | 80.2 | 2.4 |
Completeness [%] | 99.5 | 98.7 | 92.6 |
Redundancy | 6.5 | 6.2 | 4.5 |
CC(1/2) | 1.000 | 1.000 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6 M NaCitrate, 50 mM Tris |