3R8C

Crystal structure of cytidylate kinase (Cmk) from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	34.130, 70.490, 92.320
Unit cell angles	90.00, 91.95, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.2162
Rwork	0.214
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h92
RMSD bond length	0.016
RMSD bond angle	1.457
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.054	0.023	0.201
Number of reflections	21148	222	1521
<I/σ(I)>	15.76	37.95	6.45
Completeness [%]	94.6	82.2	90.9
Redundancy	3.2		3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	protein at 27.9 mg/mL 12.5% PEG 1000, 12.5% PEG 2250, 12.5% MPD, 0.1 M MOPS/NaHepes, 30 mM MgCl2, 30 mM CaCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K