3D1V
Crystal structure of human PNP complexed with 2-mercapto(3H) quinazolinone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 104 |
| Detector technology | CCD |
| Collection date | 2005-04-16 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 138.666, 138.666, 159.379 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.180 - 2.700 |
| R-factor | 0.22394 |
| Rwork | 0.221 |
| R-free | 0.27745 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m73 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.531 | 2.840 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 16763 | |
| <I/σ(I)> | 6.6 | 1.9 |
| Completeness [%] | 90.1 | 93.4 |
| Redundancy | 5.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 0.05M CITRATE BUFFER, 19%AMMONIUM SULPHATE, PH 5.30, VAPOR DIFFUSION, HANGING DROP |
