5Z54
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-29 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 62.557, 113.374, 132.332 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 24.900 - 2.160 |
| R因子 | 0.18406 |
| Rwork | 0.182 |
| R-free | 0.23028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.452 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 25.000 | 2.360 |
| 分解能 [Å] (高) | 2.160 | 4.900 | 2.280 |
| Rmerge_l_obs | 0.088 | 0.048 | 0.495 |
| Rmeas | 0.091 | 0.050 | 0.517 |
| Rpim | 0.024 | 0.013 | 0.146 |
| Total number of observations | 630102 | ||
| 独立反射数 | 49997 | 4681 | 4269 |
| <I/σ(I)> | 7.2 | ||
| 完全性 [%] | 99.8 | 100 | 98.2 |
| 冗長性 | 14.3 | 14 | 11.6 |
| CC(1/2) | 0.999 | 0.955 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.2M sodium chloride, 20%(w/v) PEG 4000 |
