4BZQ

Structure of the Mycobacterium tuberculosis APS kinase CysC in complex with ADP and APS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Collection date	2011-04-11
Spacegroup name	P 21 21 21
Unit cell lengths	63.930, 70.110, 79.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.520 - 2.100
R-factor	0.19895
Rwork	0.196
R-free	0.25309
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bzp
RMSD bond length	0.015
RMSD bond angle	1.846
Phasing software	PHASER
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.610
Number of reflections	21457
<I/σ(I)>	10	2.3
Completeness [%]	100.0	100
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 MM CITRATE, PH 5.5, 20% PEG4000, 10% 2-PROPANOL, 0.8 MM CYSC, 1.9 MM APS, 2.3 MM ADP, 1.8 MM MGCL2