1N8J

Crystal Structure of AhpC with Active Site Cysteine mutated to Serine (C46S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	106.080, 107.330, 120.080
Unit cell angles	102.43, 116.22, 98.81

Refinement procedure

Resolution	50.000 * - 2.600 *
R-factor	0.1901
Rwork	0.188
R-free	0.25300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1KYG
RMSD bond length	0.007
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.990	2.310
High resolution limit [Å]	2.170	2.170
Rmerge	0.074 *	0.470 *
Total number of observations	836640 *
Number of reflections	204205 *
<I/σ(I)>	12.1
Completeness [%]	90.4 *	82 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	4% PEG 4000, 10% isopropyl alcohol, 0.1M Na acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	4 (%)
2	1	reservoir	isopropanol	10 (%)
3	1	reservoir	sodium acetate	0.1 (M)	pH4.5
4	1	drop	protein	10 (mg/ml)