4ZFP

A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein hen egg white lysozyme

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
格子定数 [Å]	77.584, 77.584, 37.111
格子定数 [度]	90.00, 90.00, 90.00

精密化法

分解能	54.860 - 1.960
R因子	0.17282
Rwork	0.170
R-free	0.23501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j1a
結合長の平均二乗偏差(RMSD) [Å]	0.014
結合角の平均二乗偏差(RMSD) [度]	1.684
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0049)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	54.860	1.990
分解能 [Å] (高)	1.960	1.960
Rmerge_l_obs	0.068	0.647
独立反射数	8416
<I/σ(I)>	23.7
完全性 [%]	97.9	92.1
冗長性	4.2	2.6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	Best crystals grow within 2 days from the following conditions: 0.6 M NaNO3, 0.1 M sodium acetate pH 4.4 and 20 % ethylene glycol.