6NXC

ECAI(T162A) MUTANT IN COMPLEX WITH CITRATE AT PH 4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-28
Detector	MARRESEARCH
Wavelength(s)	0.97923
Spacegroup name	P 1 21 1
Unit cell lengths	90.524, 89.766, 93.290
Unit cell angles	90.00, 117.14, 90.00

Refinement procedure

Resolution	46.540 - 1.740
R-factor	0.1681
Rwork	0.166
R-free	0.20760
RMSD bond length	0.019
RMSD bond angle	2.256
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.740	1.740
Number of reflections	132353
<I/σ(I)>	14.8
Completeness [%]	98.3
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	Citrate buffer, Sodium Chloride, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K