4BJO
Nitrate in the active site of PTP1b is a putative mimetic of the transition state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-16 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.620, 66.765, 68.771 |
| Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
| Resolution | 68.600 - 2.060 |
| R-factor | 0.21652 |
| Rwork | 0.215 |
| R-free | 0.23932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aj5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.235 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.500 | 2.170 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.050 | 0.610 |
| Number of reflections | 44854 | |
| <I/σ(I)> | 23.6 | 2.6 |
| Completeness [%] | 99.0 | 93.5 |
| Redundancy | 7.1 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.1 | 281 | 100 MM HEPES PH 8.1, 25.4% PEG 4000, 225 MM MGNO3 AT 281K. |
