2QC3

Crystal structure of MCAT from Mycobacterium tuberculosis

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
格子定数 [Å]	36.520, 48.171, 77.414
格子定数 [度]	90.00, 98.89, 90.00

精密化法

残基	50.000 - 2.300
Rwork	0.198
R-free	0.23790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nm2
結合長の平均二乗偏差(RMSD) [Å]	0.005
結合角の平均二乗偏差(RMSD) [度]	1.160
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.380
分解能 [Å] (高)	2.300	2.300
Rmerge_l_obs	0.081	0.455
独立反射数	19684
<I/σ(I)>	11.1	5.6
完全性 [%]	99.8	99.1
冗長性	3.4	3.5

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	30% PEG 4000, 0.2 M sodium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K