4Z5C

HipB-O3 21mer complex

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-01-04
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
格子定数 [Å]	109.027, 109.027, 58.796
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	49.910 - 2.500
R因子	0.1959
Rwork	0.192
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4Z52
結合長の平均二乗偏差(RMSD) [Å]	0.009
結合角の平均二乗偏差(RMSD) [度]	1.110
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	2.540
分解能 [Å] (高)	2.500	6.780	2.500
Rmerge_l_obs	0.080	0.040	0.678
Total number of observations	90409
独立反射数	14130
<I/σ(I)>	11.8
完全性 [%]	99.2	95.1	99.3
冗長性	6.4	6.4	4.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.02 M MgCl2, 0.05 M sodium cacodylate trihydrate, pH 6.0, 5% 2-propanol, 0.001 M spermine