9GUH

Crystal structure of NtcA from S. elongatus in apo form B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9762
Spacegroup name	P 64 2 2
Unit cell lengths	96.385, 96.385, 126.893
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.190 - 3.330
R-factor	0.22441
Rwork	0.222
R-free	0.27392
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.500	3.510
High resolution limit [Å]	3.300	3.300
Number of reflections	5530	5530
<I/σ(I)>	4
Completeness [%]	100.0
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	NtcA protein was at 6,1 mg/ml in 50 mM sodium citrate pH 6.5, 0.5 M NaCl, 5 mM magnesium cloride, 50 mM arginine hydrocloride, 50 mM Na L-glutamate. CRYSTALLIZATION SOLUTION: 0,05 M Tris-HCL pH8, 2M NaCl, 2% 2-methyl-2,4-pentanediol,10mM MgCl2, 5%DMSO. CRYO PROTECTANT: 27% 2-methyl-2,4-pentanediol