7QU9
Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.203, 91.466, 147.055 |
| Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
| Resolution | 77.790 - 2.140 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cwa |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.551 |
| Data reduction software | AutoProcess |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.490 | 91.490 | 2.200 |
| High resolution limit [Å] | 2.140 | 9.570 | 2.140 |
| Rmerge | 0.116 | 0.074 | 2.053 |
| Rmeas | 0.126 | 0.081 | 2.232 |
| Rpim | 0.049 | 0.032 | 0.866 |
| Total number of observations | 559025 | 6354 | 41074 |
| Number of reflections | 85192 | 1014 | 6220 |
| <I/σ(I)> | 7 | 18.8 | 1 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 6.6 | 6.3 | 6.6 |
| CC(1/2) | 0.996 | 0.995 | 0.620 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.04 M potassium phosphate monobasic, 16 % (w/v) PEG8000, 20 % (v/v) glycerol |
