7TC2
Human APE1 in complex with 5-nitroindole-2-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.647, 140.779, 89.567 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 38.900 - 1.430 |
| R-factor | 0.252 |
| Rwork | 0.251 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lnd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (16-JUL-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.900 | 38.900 | 1.460 |
| High resolution limit [Å] | 1.430 | 7.840 | 1.430 |
| Rmerge | 0.135 | 0.086 | 2.994 |
| Rmeas | 0.146 | 0.092 | 3.254 |
| Rpim | 0.055 | 0.033 | 1.253 |
| Total number of observations | 1418646 | 9800 | 65698 |
| Number of reflections | 208003 | 1313 | 10305 |
| <I/σ(I)> | 6.8 | 18.1 | 0.6 |
| Completeness [%] | 98.6 | 99.2 | 98.2 |
| Redundancy | 6.8 | 7.5 | 6.4 |
| CC(1/2) | 0.996 | 0.994 | 0.290 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | PEG3350, Sodium Formate |
